data_7f2_1_0m 

_audit_update_record
;
2014-01-09 # Formatted by publCIF
;
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
? 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'K1.50 O21 Se3 U2' 
_chemical_formula_weight          1107.59 
 
loop_ 
 _atom_type_symbol 
 _atom_type_description 
 _atom_type_scat_dispersion_real 
 _atom_type_scat_dispersion_imag 
 _atom_type_scat_source 
 'K'  'K'   0.2009   0.2494 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'O'  'O'   0.0106   0.0060 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Se'  'Se'  -0.0929   2.2259 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'U'  'U'  -9.6767   9.6646 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P2(1)/m' 
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x, y+1/2, -z' 
 '-x, -y, -z' 
 'x, -y-1/2, z' 
 
_cell_length_a                    12.001(3) 
_cell_length_b                    13.613(3) 
_cell_length_c                    13.753(3) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  109.187(4) 
_cell_angle_gamma                 90.00 
_cell_volume                      2122.0(8) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     210(2) 
_cell_measurement_reflns_used     8236
_cell_measurement_theta_min        2.17
_cell_measurement_theta_max       35.92 
 
_exptl_crystal_description        'plate' 
_exptl_crystal_colour             'yellow-green' 
_exptl_crystal_size_max           0.23 
_exptl_crystal_size_mid           0.15 
_exptl_crystal_size_min           0.07 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     3.467 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              1930 
_exptl_absorpt_coefficient_mu     20.770 
_exptl_absorpt_correction_type    multi-scan
_exptl_absorpt_correction_T_min   0.2121
_exptl_absorpt_correction_T_max   0.5783
_exptl_absorpt_process_details    'SADABS; Bruker, 2007' 
 
_exptl_special_details 
? 
 
_diffrn_ambient_temperature       210(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean  ? 
_diffrn_reflns_number             28491 
_diffrn_reflns_av_R_equivalents   0.0561 
_diffrn_reflns_av_sigmaI/netI     0.0467 
_diffrn_reflns_limit_h_min        -15 
_diffrn_reflns_limit_h_max        16 
_diffrn_reflns_limit_k_min        -19 
_diffrn_reflns_limit_k_max        17 
_diffrn_reflns_limit_l_min        -19 
_diffrn_reflns_limit_l_max        19 
_diffrn_reflns_theta_min          1.57 
_diffrn_reflns_theta_max          30.00 
_reflns_number_total              6432 
_reflns_number_gt                 4865 
_reflns_threshold_expression      >2sigma(I) 
 
_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT' 
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics     ? 
_computing_publication_material    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
; 
_refine_special_details 
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
; 
 
_refine_ls_structure_factor_coef  Fsqd  
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme       calc  
_refine_ls_weighting_details 
 'calc w=1/[σ²(Fo²)+(0.0421P)²+0.0000P] where P=(Fo²+2Fc²)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    . 
_refine_ls_hydrogen_treatment     .
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_number_reflns          6432 
_refine_ls_number_parameters      264 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0431 
_refine_ls_R_factor_gt            0.0289 
_refine_ls_wR_factor_ref          0.0867 
_refine_ls_wR_factor_gt           0.0837 
_refine_ls_goodness_of_fit_ref    1.036 
_refine_ls_restrained_S_all       1.036 
_refine_ls_shift/su_max           0.000 
_refine_ls_shift/su_mean          0.000 
 
loop_ 
 _atom_site_label 
 _atom_site_type_symbol 
 _atom_site_fract_x 
 _atom_site_fract_y 
 _atom_site_fract_z 
 _atom_site_U_iso_or_equiv 
 _atom_site_adp_type 
 _atom_site_occupancy 
 _atom_site_symmetry_multiplicity 
 _atom_site_calc_flag 
 _atom_site_refinement_flags 
 _atom_site_disorder_assembly 
 _atom_site_disorder_group 
U1 U 0.22847(2) 0.48852(2) 0.433390(17) 0.01926(7) Uani 1 1 d . . . 
U2 U 0.22135(2) 0.465616(19) -0.068123(17) 0.01935(7) Uani 1 1 d . . . 
Se1 Se 0.09854(6) 0.49158(5) 0.14632(5) 0.02124(14) Uani 1 1 d . . . 
Se2 Se -0.10023(6) 0.50992(5) 0.35368(5) 0.01924(13) Uani 1 1 d . . . 
Se3 Se 0.49279(6) 0.51073(6) 0.34348(5) 0.02508(16) Uani 1 1 d . . . 
K1 K 0.0427(2) 0.7500 0.26609(17) 0.0307(5) Uani 1 2 d S . . 
K2 K 0.1481(3) 0.7500 0.0149(2) 0.0584(8) Uani 1 2 d S . . 
K3 K 0.0683(6) 0.2500 0.3063(4) 0.0469(13) Uani 0.50 2 d SP . . 
K4 K 0.4949(8) 0.7500 0.5156(5) 0.074(3) Uani 0.50 2 d SP . . 
O1 O 0.2501(4) 0.3634(4) 0.4676(4) 0.0298(11) Uani 1 1 d . . . 
O2 O 0.2028(4) 0.6134(4) 0.3978(4) 0.0290(11) Uani 1 1 d . . . 
O3 O 0.1974(4) 0.5260(4) 0.5930(3) 0.0281(12) Uani 1 1 d . . . 
O4 O 0.3649(4) 0.4679(5) 0.3431(4) 0.0423(16) Uani 1 1 d . . . 
O5 O 0.0250(4) 0.4519(4) 0.4117(3) 0.0250(10) Uani 1 1 d . . . 
O6 O 0.1262(4) 0.4404(4) 0.2598(3) 0.0282(11) Uani 1 1 d . . . 
O7 O 0.2891(4) 0.5800(4) -0.0255(4) 0.0306(12) Uani 1 1 d . . . 
O8 O 0.1533(5) 0.3530(4) -0.1126(4) 0.0322(12) Uani 1 1 d . . . 
O9 O 0.3600(5) 0.4140(4) -0.1532(4) 0.0391(14) Uani 1 1 d . . . 
O10 O 0.3889(5) 0.3854(5) 0.0587(4) 0.0413(14) Uani 1 1 d . . . 
O11 O 0.1860(4) 0.4372(4) 0.0917(3) 0.0290(12) Uani 1 1 d . . . 
O12 O 0.1159(5) 0.6093(4) 0.1523(4) 0.0344(12) Uani 1 1 d . . . 
O13 O -0.0387(4) 0.4580(4) 0.0821(3) 0.0246(10) Uani 1 1 d . . . 
O14 O -0.0837(5) 0.6277(4) 0.3550(4) 0.0321(12) Uani 1 1 d . . . 
O15 O -0.1506(4) 0.4661(4) 0.2347(3) 0.0279(11) Uani 1 1 d . . . 
O16 O 0.5907(4) 0.4616(4) 0.4463(3) 0.0271(11) Uani 1 1 d . . . 
O17 O 0.4958(6) 0.6291(5) 0.3469(5) 0.0508(16) Uani 1 1 d . . . 
O18 O 0.5176(5) 0.4676(5) 0.2417(4) 0.0467(16) Uani 1 1 d . . . 
O19 O 0.4671(8) 0.7500 0.9787(7) 0.050(2) Uani 1 2 d S . . 
O20 O 0.3121(8) 0.2500 0.7215(7) 0.052(2) Uani 1 2 d S . . 
O21 O 0.3877(9) 0.7500 0.1572(7) 0.059(3) Uani 1 2 d S . . 
O22 O -0.0324(12) 0.2500 0.4644(7) 0.086(3) Uani 1 2 d S . . 
O23 O 0.300(3) 0.7500 0.6060(15) 0.086(3) Uani 0.50 2 d SP . . 
O24 O 0.089(3) 0.2500 0.0901(15) 0.086(3) Uani 0.50 2 d SP . . 
O25 O 0.342(3) 0.2500 0.2732(15) 0.086(3) Uani 0.50 2 d SP . . 
O26 O 0.165(3) 0.7500 -0.1795(15) 0.086(3) Uani 0.50 2 d SP . . 
 
 
_geom_special_details 
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
; 
 
loop_ 
 _geom_bond_atom_site_label_1 
 _geom_bond_atom_site_label_2 
 _geom_bond_distance 
 _geom_bond_site_symmetry_2 
 _geom_bond_publ_flag 
U1 O1 1.763(5) . ? 
U1 O2 1.768(5) . ? 
U1 O16 2.355(5) 3_666 ? 
U1 O4 2.375(5) . ? 
U1 O6 2.389(4) . ? 
U1 O3 2.400(4) . ? 
U1 O5 2.413(5) . ? 
U1 K3 3.884(3) . ? 
U2 O8 1.750(5) . ? 
U2 O7 1.765(5) . ? 
U2 O15 2.356(5) 3_565 ? 
U2 O13 2.377(5) 3_565 ? 
U2 O11 2.403(4) . ? 
U2 O9 2.432(5) . ? 
U2 O10 2.444(5) . ? 
Se1 O12 1.614(5) . ? 
Se1 O6 1.641(4) . ? 
Se1 O11 1.653(5) . ? 
Se1 O13 1.657(5) . ? 
Se2 O14 1.616(5) . ? 
Se2 O3 1.642(4) 3_566 ? 
Se2 O5 1.653(5) . ? 
Se2 O15 1.658(4) . ? 
Se3 O17 1.612(6) . ? 
Se3 O18 1.633(5) . ? 
Se3 O4 1.640(5) . ? 
Se3 O16 1.654(5) . ? 
K1 O14 2.790(5) . ? 
K1 O14 2.790(5) 4_575 ? 
K1 O12 2.792(5) . ? 
K1 O12 2.792(5) 4_575 ? 
K1 O2 2.854(5) 4_575 ? 
K1 O2 2.854(5) . ? 
K1 O8 2.948(5) 3_565 ? 
K1 O8 2.948(5) 2 ? 
K2 O24 2.73(3) 3_565 ? 
K2 O26 2.75(2) . ? 
K2 O12 2.806(6) 4_575 ? 
K2 O12 2.806(6) . ? 
K2 O21 2.899(11) . ? 
K2 O7 3.024(6) . ? 
K2 O7 3.024(6) 4_575 ? 
K2 O13 3.220(5) 3_565 ? 
K2 O13 3.220(5) 2 ? 
K3 O26 2.77(3) 3_565 ? 
K3 O6 2.811(6) . ? 
K3 O6 2.811(6) 4_565 ? 
K3 O22 2.813(12) . ? 
K3 O1 2.980(7) . ? 
K3 O1 2.980(7) 4_565 ? 
K3 O24 3.06(2) . ? 
K3 O5 3.228(6) . ? 
K3 O5 3.228(6) 4_565 ? 
K3 U1 3.884(3) 4_565 ? 
K4 O17 2.847(8) . ? 
K4 O17 2.847(8) 4_575 ? 
K4 O25 2.92(2) 3_666 ? 
K4 O23 2.99(3) . ? 
K4 O16 3.160(6) 3_666 ? 
K4 O16 3.160(6) 2_656 ? 
K4 O1 3.368(9) 2_656 ? 
K4 O1 3.368(9) 3_666 ? 
O1 K4 3.368(9) 3_666 ? 
O3 Se2 1.642(4) 3_566 ? 
O8 K1 2.948(5) 3_565 ? 
O13 U2 2.377(5) 3_565 ? 
O13 K2 3.220(5) 3_565 ? 
O15 U2 2.356(5) 3_565 ? 
O16 U1 2.355(5) 3_666 ? 
O16 K4 3.160(6) 3_666 ? 
O24 K2 2.73(3) 3_565 ? 
O25 K4 2.92(2) 3_666 ? 
O26 K3 2.77(3) 3_565 ? 
 
loop_ 
 _geom_angle_atom_site_label_1 
 _geom_angle_atom_site_label_2 
 _geom_angle_atom_site_label_3 
 _geom_angle 
 _geom_angle_site_symmetry_1 
 _geom_angle_site_symmetry_3 
 _geom_angle_publ_flag 
O1 U1 O2 178.5(2) . . ? 
O1 U1 O16 94.0(2) . 3_666 ? 
O2 U1 O16 87.4(2) . 3_666 ? 
O1 U1 O4 87.7(2) . . ? 
O2 U1 O4 93.2(2) . . ? 
O16 U1 O4 76.54(17) 3_666 . ? 
O1 U1 O6 89.1(2) . . ? 
O2 U1 O6 90.1(2) . . ? 
O16 U1 O6 146.42(15) 3_666 . ? 
O4 U1 O6 70.19(17) . . ? 
O1 U1 O3 90.8(2) . . ? 
O2 U1 O3 89.1(2) . . ? 
O16 U1 O3 71.36(15) 3_666 . ? 
O4 U1 O3 147.67(17) . . ? 
O6 U1 O3 142.10(16) . . ? 
O1 U1 O5 83.5(2) . . ? 
O2 U1 O5 95.0(2) . . ? 
O16 U1 O5 143.87(15) 3_666 . ? 
O4 U1 O5 139.00(17) . . ? 
O6 U1 O5 69.71(15) . . ? 
O3 U1 O5 72.64(15) . . ? 
O1 U1 K3 47.17(18) . . ? 
O2 U1 K3 131.59(18) . . ? 
O16 U1 K3 139.68(15) 3_666 . ? 
O4 U1 K3 89.42(17) . . ? 
O6 U1 K3 46.02(15) . . ? 
O3 U1 K3 112.75(15) . . ? 
O5 U1 K3 55.99(15) . . ? 
O1 U1 K1 157.06(17) . . ? 
O2 U1 K1 21.55(17) . . ? 
O16 U1 K1 108.91(13) 3_666 . ? 
O4 U1 K1 98.02(16) . . ? 
O6 U1 K1 72.24(13) . . ? 
O3 U1 K1 95.83(13) . . ? 
O5 U1 K1 77.61(12) . . ? 
K3 U1 K1 110.39(8) . . ? 
O1 U1 K4 39.70(18) . 3_666 ? 
O2 U1 K4 141.63(18) . 3_666 ? 
O16 U1 K4 68.82(16) 3_666 3_666 ? 
O4 U1 K4 53.14(17) . 3_666 ? 
O6 U1 K4 93.91(15) . 3_666 ? 
O3 U1 K4 109.69(15) . 3_666 ? 
O5 U1 K4 122.10(15) . 3_666 ? 
K3 U1 K4 72.51(12) . 3_666 ? 
K1 U1 K4 151.14(7) . 3_666 ? 
O8 U2 O7 179.0(2) . . ? 
O8 U2 O15 91.6(2) . 3_565 ? 
O7 U2 O15 87.4(2) . 3_565 ? 
O8 U2 O13 92.5(2) . 3_565 ? 
O7 U2 O13 87.3(2) . 3_565 ? 
O15 U2 O13 73.79(16) 3_565 3_565 ? 
O8 U2 O11 88.6(2) . . ? 
O7 U2 O11 92.2(2) . . ? 
O15 U2 O11 146.83(16) 3_565 . ? 
O13 U2 O11 73.06(16) 3_565 . ? 
O8 U2 O9 83.9(2) . . ? 
O7 U2 O9 95.8(2) . . ? 
O15 U2 O9 74.39(18) 3_565 . ? 
O13 U2 O9 147.85(17) 3_565 . ? 
O11 U2 O9 138.45(18) . . ? 
O8 U2 O10 92.2(2) . . ? 
O7 U2 O10 88.6(2) . . ? 
O15 U2 O10 145.00(17) 3_565 . ? 
O13 U2 O10 140.69(16) 3_565 . ? 
O11 U2 O10 68.06(17) . . ? 
O9 U2 O10 71.46(18) . . ? 
O8 U2 K2 141.73(18) . . ? 
O7 U2 K2 38.11(17) . . ? 
O15 U2 K2 81.97(13) 3_565 . ? 
O13 U2 K2 49.46(13) 3_565 . ? 
O11 U2 K2 77.55(14) . . ? 
O9 U2 K2 129.29(15) . . ? 
O10 U2 K2 114.42(15) . . ? 
O8 U2 K1 20.87(18) . 3_565 ? 
O7 U2 K1 158.25(17) . 3_565 ? 
O15 U2 K1 73.32(13) 3_565 3_565 ? 
O13 U2 K1 77.88(12) 3_565 3_565 ? 
O11 U2 K1 98.46(13) . 3_565 ? 
O9 U2 K1 88.71(15) . 3_565 ? 
O10 U2 K1 112.93(15) . 3_565 ? 
K2 U2 K1 126.40(6) . 3_565 ? 
O12 Se1 O6 113.0(3) . . ? 
O12 Se1 O11 112.2(3) . . ? 
O6 Se1 O11 106.4(2) . . ? 
O12 Se1 O13 113.0(3) . . ? 
O6 Se1 O13 104.2(2) . . ? 
O11 Se1 O13 107.6(2) . . ? 
O14 Se2 O3 113.2(3) . 3_566 ? 
O14 Se2 O5 112.3(3) . . ? 
O3 Se2 O5 108.0(2) 3_566 . ? 
O14 Se2 O15 111.8(3) . . ? 
O3 Se2 O15 104.6(2) 3_566 . ? 
O5 Se2 O15 106.5(2) . . ? 
O17 Se3 O18 112.1(3) . . ? 
O17 Se3 O4 111.6(3) . . ? 
O18 Se3 O4 107.6(3) . . ? 
O17 Se3 O16 112.1(3) . . ? 
O18 Se3 O16 108.0(3) . . ? 
O4 Se3 O16 105.1(3) . . ? 
O14 K1 O14 73.3(2) . 4_575 ? 
O14 K1 O12 98.79(15) . . ? 
O14 K1 O12 166.30(18) 4_575 . ? 
O14 K1 O12 166.30(18) . 4_575 ? 
O14 K1 O12 98.79(15) 4_575 4_575 ? 
O12 K1 O12 86.7(2) . 4_575 ? 
O14 K1 O2 117.41(16) . 4_575 ? 
O14 K1 O2 71.50(15) 4_575 4_575 ? 
O12 K1 O2 122.17(17) . 4_575 ? 
O12 K1 O2 68.78(16) 4_575 4_575 ? 
O14 K1 O2 71.50(15) . . ? 
O14 K1 O2 117.41(16) 4_575 . ? 
O12 K1 O2 68.78(16) . . ? 
O12 K1 O2 122.17(17) 4_575 . ? 
O2 K1 O2 81.3(2) 4_575 . ? 
O14 K1 O8 67.01(15) . 3_565 ? 
O14 K1 O8 100.20(17) 4_575 3_565 ? 
O12 K1 O8 66.18(16) . 3_565 ? 
O12 K1 O8 104.42(17) 4_575 3_565 ? 
O2 K1 O8 167.63(16) 4_575 3_565 ? 
O2 K1 O8 110.90(15) . 3_565 ? 
O14 K1 O8 100.20(17) . 2 ? 
O14 K1 O8 67.01(15) 4_575 2 ? 
O12 K1 O8 104.42(17) . 2 ? 
O12 K1 O8 66.18(16) 4_575 2 ? 
O2 K1 O8 110.90(15) 4_575 2 ? 
O2 K1 O8 167.63(16) . 2 ? 
O8 K1 O8 56.8(2) 3_565 2 ? 
O14 K1 K2 137.80(12) . . ? 
O14 K1 K2 137.80(12) 4_575 . ? 
O12 K1 K2 43.78(11) . . ? 
O12 K1 K2 43.78(11) 4_575 . ? 
O2 K1 K2 101.97(12) 4_575 . ? 
O2 K1 K2 101.97(12) . . ? 
O8 K1 K2 77.79(12) 3_565 . ? 
O8 K1 K2 77.79(12) 2 . ? 
O14 K1 U1 62.97(11) . . ? 
O14 K1 U1 120.39(12) 4_575 . ? 
O12 K1 U1 62.72(11) . . ? 
O12 K1 U1 130.24(13) 4_575 . ? 
O2 K1 U1 94.31(12) 4_575 . ? 
O2 K1 U1 13.15(11) . . ? 
O8 K1 U1 97.86(11) 3_565 . ? 
O8 K1 U1 154.48(12) 2 . ? 
K2 K1 U1 101.44(5) . . ? 
O14 K1 U1 120.39(12) . 4_575 ? 
O14 K1 U1 62.97(11) 4_575 4_575 ? 
O12 K1 U1 130.24(13) . 4_575 ? 
O12 K1 U1 62.72(11) 4_575 4_575 ? 
O2 K1 U1 13.15(11) 4_575 4_575 ? 
O2 K1 U1 94.31(12) . 4_575 ? 
O8 K1 U1 154.48(12) 3_565 4_575 ? 
O8 K1 U1 97.86(11) 2 4_575 ? 
K2 K1 U1 101.44(5) . 4_575 ? 
U1 K1 U1 107.17(5) . 4_575 ? 
O14 K1 U2 60.12(11) . 3_565 ? 
O14 K1 U2 106.10(13) 4_575 3_565 ? 
O12 K1 U2 60.25(12) . 3_565 ? 
O12 K1 U2 113.31(13) 4_575 3_565 ? 
O2 K1 U2 177.20(12) 4_575 3_565 ? 
O2 K1 U2 98.73(11) . 3_565 ? 
O8 K1 U2 12.21(10) 3_565 3_565 ? 
O8 K1 U2 68.96(11) 2 3_565 ? 
K2 K1 U2 80.77(5) . 3_565 ? 
U1 K1 U2 85.665(17) . 3_565 ? 
U1 K1 U2 166.04(5) 4_575 3_565 ? 
O24 K2 O26 83.3(7) 3_565 . ? 
O24 K2 O12 90.4(3) 3_565 4_575 ? 
O26 K2 O12 136.59(13) . 4_575 ? 
O24 K2 O12 90.4(3) 3_565 . ? 
O26 K2 O12 136.59(13) . . ? 
O12 K2 O12 86.1(2) 4_575 . ? 
O24 K2 O21 170.3(5) 3_565 . ? 
O26 K2 O21 106.3(6) . . ? 
O12 K2 O21 82.57(19) 4_575 . ? 
O12 K2 O21 82.57(19) . . ? 
O24 K2 O7 116.8(2) 3_565 . ? 
O26 K2 O7 66.1(3) . . ? 
O12 K2 O7 148.80(19) 4_575 . ? 
O12 K2 O7 79.07(15) . . ? 
O21 K2 O7 68.47(15) . . ? 
O24 K2 O7 116.8(2) 3_565 4_575 ? 
O26 K2 O7 66.1(3) . 4_575 ? 
O12 K2 O7 79.06(15) 4_575 4_575 ? 
O12 K2 O7 148.80(19) . 4_575 ? 
O21 K2 O7 68.47(15) . 4_575 ? 
O7 K2 O7 99.9(2) . 4_575 ? 
O24 K2 O13 64.49(14) 3_565 3_565 ? 
O26 K2 O13 75.4(3) . 3_565 ? 
O12 K2 O13 138.74(17) 4_575 3_565 ? 
O12 K2 O13 63.32(13) . 3_565 ? 
O21 K2 O13 117.30(11) . 3_565 ? 
O7 K2 O13 55.08(12) . 3_565 ? 
O7 K2 O13 140.68(16) 4_575 3_565 ? 
O24 K2 O13 64.49(14) 3_565 2 ? 
O26 K2 O13 75.4(3) . 2 ? 
O12 K2 O13 63.32(13) 4_575 2 ? 
O12 K2 O13 138.74(17) . 2 ? 
O21 K2 O13 117.30(11) . 2 ? 
O7 K2 O13 140.68(16) . 2 ? 
O7 K2 O13 55.08(12) 4_575 2 ? 
O13 K2 O13 123.1(2) 3_565 2 ? 
O24 K2 K1 83.6(4) 3_565 . ? 
O26 K2 K1 167.0(6) . . ? 
O12 K2 K1 43.50(11) 4_575 . ? 
O12 K2 K1 43.50(11) . . ? 
O21 K2 K1 86.7(2) . . ? 
O7 K2 K1 120.46(11) . . ? 
O7 K2 K1 120.45(11) 4_575 . ? 
O13 K2 K1 98.86(10) 3_565 . ? 
O13 K2 K1 98.86(10) 2 . ? 
O24 K2 U2 97.49(17) 3_565 4_575 ? 
O26 K2 U2 69.32(11) . 4_575 ? 
O12 K2 U2 69.03(11) 4_575 4_575 ? 
O12 K2 U2 153.87(14) . 4_575 ? 
O21 K2 U2 86.20(9) . 4_575 ? 
O7 K2 U2 118.34(13) . 4_575 ? 
O7 K2 U2 21.11(9) 4_575 4_575 ? 
O13 K2 U2 142.13(12) 3_565 4_575 ? 
O13 K2 U2 34.12(8) 2 4_575 ? 
K1 K2 U2 112.51(4) . 4_575 ? 
O24 K2 U2 97.49(17) 3_565 . ? 
O26 K2 U2 69.32(12) . . ? 
O12 K2 U2 153.87(14) 4_575 . ? 
O12 K2 U2 69.03(11) . . ? 
O21 K2 U2 86.20(9) . . ? 
O7 K2 U2 21.11(9) . . ? 
O7 K2 U2 118.34(13) 4_575 . ? 
O13 K2 U2 34.12(8) 3_565 . ? 
O13 K2 U2 142.13(12) 2 . ? 
K1 K2 U2 112.51(4) . . ? 
U2 K2 U2 133.73(8) 4_575 . ? 
O26 K3 O6 97.5(2) 3_565 . ? 
O26 K3 O6 97.5(2) 3_565 4_565 ? 
O6 K3 O6 134.5(3) . 4_565 ? 
O26 K3 O22 83.3(5) 3_565 . ? 
O6 K3 O22 112.12(14) . . ? 
O6 K3 O22 112.13(14) 4_565 . ? 
O26 K3 O1 144.0(3) 3_565 . ? 
O6 K3 O1 61.09(15) . . ? 
O6 K3 O1 118.2(2) 4_565 . ? 
O22 K3 O1 79.6(3) . . ? 
O26 K3 O1 144.0(3) 3_565 4_565 ? 
O6 K3 O1 118.2(2) . 4_565 ? 
O6 K3 O1 61.09(15) 4_565 4_565 ? 
O22 K3 O1 79.6(3) . 4_565 ? 
O1 K3 O1 62.4(2) . 4_565 ? 
O26 K3 O24 77.1(7) 3_565 . ? 
O6 K3 O24 71.03(18) . . ? 
O6 K3 O24 71.03(18) 4_565 . ? 
O22 K3 O24 160.3(6) . . ? 
O1 K3 O24 116.8(5) . . ? 
O1 K3 O24 116.8(5) 4_565 . ? 
O26 K3 O5 90.2(3) 3_565 . ? 
O6 K3 O5 53.51(12) . . ? 
O6 K3 O5 167.3(2) 4_565 . ? 
O22 K3 O5 58.63(12) . . ? 
O1 K3 O5 53.92(14) . . ? 
O1 K3 O5 107.0(2) 4_565 . ? 
O24 K3 O5 120.80(14) . . ? 
O26 K3 O5 90.2(3) 3_565 4_565 ? 
O6 K3 O5 167.3(2) . 4_565 ? 
O6 K3 O5 53.51(12) 4_565 4_565 ? 
O22 K3 O5 58.63(12) . 4_565 ? 
O1 K3 O5 107.0(2) . 4_565 ? 
O1 K3 O5 53.92(14) 4_565 4_565 ? 
O24 K3 O5 120.80(14) . 4_565 ? 
O5 K3 O5 116.7(2) . 4_565 ? 
O26 K3 U1 122.11(11) 3_565 4_565 ? 
O6 K3 U1 138.7(2) . 4_565 ? 
O6 K3 U1 37.69(10) 4_565 4_565 ? 
O22 K3 U1 85.82(18) . 4_565 ? 
O1 K3 U1 88.01(17) . 4_565 ? 
O1 K3 U1 25.72(10) 4_565 4_565 ? 
O24 K3 U1 104.6(3) . 4_565 ? 
O5 K3 U1 129.69(19) . 4_565 ? 
O5 K3 U1 38.28(9) 4_565 4_565 ? 
O26 K3 U1 122.11(11) 3_565 . ? 
O6 K3 U1 37.69(10) . . ? 
O6 K3 U1 138.7(2) 4_565 . ? 
O22 K3 U1 85.82(18) . . ? 
O1 K3 U1 25.72(10) . . ? 
O1 K3 U1 88.01(17) 4_565 . ? 
O24 K3 U1 104.6(3) . . ? 
O5 K3 U1 38.28(9) . . ? 
O5 K3 U1 129.68(19) 4_565 . ? 
U1 K3 U1 113.45(15) 4_565 . ? 
O26 K3 K2 38.2(4) 3_565 3_565 ? 
O6 K3 K2 83.00(15) . 3_565 ? 
O6 K3 K2 83.00(15) 4_565 3_565 ? 
O22 K3 K2 121.5(3) . 3_565 ? 
O1 K3 K2 143.80(14) . 3_565 ? 
O1 K3 K2 143.80(14) 4_565 3_565 ? 
O24 K3 K2 38.8(5) . 3_565 ? 
O5 K3 K2 109.11(14) . 3_565 ? 
O5 K3 K2 109.11(14) 4_565 3_565 ? 
U1 K3 K2 120.11(8) 4_565 3_565 ? 
U1 K3 K2 120.11(8) . 3_565 ? 
O17 K4 O17 70.7(3) . 4_575 ? 
O17 K4 O25 129.0(4) . 3_666 ? 
O17 K4 O25 129.0(5) 4_575 3_666 ? 
O17 K4 O23 123.5(4) . . ? 
O17 K4 O23 123.5(4) 4_575 . ? 
O25 K4 O23 87.0(7) 3_666 . ? 
O17 K4 O16 72.32(16) . 3_666 ? 
O17 K4 O16 138.7(3) 4_575 3_666 ? 
O25 K4 O16 89.1(3) 3_666 3_666 ? 
O23 K4 O16 65.75(15) . 3_666 ? 
O17 K4 O16 138.7(3) . 2_656 ? 
O17 K4 O16 72.32(16) 4_575 2_656 ? 
O25 K4 O16 89.1(3) 3_666 2_656 ? 
O23 K4 O16 65.75(15) . 2_656 ? 
O16 K4 O16 131.5(3) 3_666 2_656 ? 
O17 K4 O1 94.2(2) . 2_656 ? 
O17 K4 O1 62.87(19) 4_575 2_656 ? 
O25 K4 O1 68.5(5) 3_666 2_656 ? 
O23 K4 O1 142.1(3) . 2_656 ? 
O16 K4 O1 138.1(3) 3_666 2_656 ? 
O16 K4 O1 84.75(15) 2_656 2_656 ? 
O17 K4 O1 62.87(19) . 3_666 ? 
O17 K4 O1 94.2(2) 4_575 3_666 ? 
O25 K4 O1 68.5(5) 3_666 3_666 ? 
O23 K4 O1 142.1(3) . 3_666 ? 
O16 K4 O1 84.75(15) 3_666 3_666 ? 
O16 K4 O1 138.1(3) 2_656 3_666 ? 
O1 K4 O1 54.6(2) 2_656 3_666 ? 
O17 K4 U1 110.0(2) . 2_656 ? 
O17 K4 U1 60.85(16) 4_575 2_656 ? 
O25 K4 U1 68.2(4) 3_666 2_656 ? 
O23 K4 U1 124.7(2) . 2_656 ? 
O16 K4 U1 152.8(3) 3_666 2_656 ? 
O16 K4 U1 65.33(12) 2_656 2_656 ? 
O1 K4 U1 19.54(9) 2_656 2_656 ? 
O1 K4 U1 73.42(18) 3_666 2_656 ? 
O17 K4 U1 60.85(16) . 3_666 ? 
O17 K4 U1 110.0(2) 4_575 3_666 ? 
O25 K4 U1 68.2(4) 3_666 3_666 ? 
O23 K4 U1 124.7(2) . 3_666 ? 
O16 K4 U1 65.33(12) 3_666 3_666 ? 
O16 K4 U1 152.8(3) 2_656 3_666 ? 
O1 K4 U1 73.42(17) 2_656 3_666 ? 
O1 K4 U1 19.54(9) 3_666 3_666 ? 
U1 K4 U1 91.56(16) 2_656 3_666 ? 
O17 K4 K3 96.6(2) . 3_666 ? 
O17 K4 K3 96.6(2) 4_575 3_666 ? 
O25 K4 K3 42.3(5) 3_666 3_666 ? 
O23 K4 K3 129.3(5) . 3_666 ? 
O16 K4 K3 105.32(19) 3_666 3_666 ? 
O16 K4 K3 105.32(19) 2_656 3_666 ? 
O1 K4 K3 35.32(13) 2_656 3_666 ? 
O1 K4 K3 35.32(13) 3_666 3_666 ? 
U1 K4 K3 47.76(9) 2_656 3_666 ? 
U1 K4 K3 47.76(9) 3_666 3_666 ? 
U1 O1 K3 107.1(2) . . ? 
U1 O1 K4 120.8(2) . 3_666 ? 
K3 O1 K4 103.9(2) . 3_666 ? 
U1 O2 K1 145.3(3) . . ? 
Se2 O3 U1 133.8(3) 3_566 . ? 
Se3 O4 U1 139.6(3) . . ? 
Se2 O5 U1 133.1(3) . . ? 
Se2 O5 K3 116.4(2) . . ? 
U1 O5 K3 85.73(17) . . ? 
Se1 O6 U1 135.4(3) . . ? 
Se1 O6 K3 128.3(3) . . ? 
U1 O6 K3 96.29(19) . . ? 
U2 O7 K2 120.8(2) . . ? 
U2 O8 K1 146.9(3) . 3_565 ? 
Se1 O11 U2 132.3(3) . . ? 
Se1 O12 K1 130.6(3) . . ? 
Se1 O12 K2 133.4(3) . . ? 
K1 O12 K2 92.72(17) . . ? 
Se1 O13 U2 130.6(3) . 3_565 ? 
Se1 O13 K2 131.5(2) . 3_565 ? 
U2 O13 K2 96.41(16) 3_565 3_565 ? 
Se2 O14 K1 132.1(3) . . ? 
Se2 O15 U2 135.7(3) . 3_565 ? 
Se3 O16 U1 135.7(3) . 3_666 ? 
Se3 O16 K4 109.4(3) . 3_666 ? 
U1 O16 K4 114.9(2) 3_666 3_666 ? 
Se3 O17 K4 126.6(3) . . ? 
K2 O24 K3 96.5(8) 3_565 . ? 
K2 O26 K3 103.1(9) . 3_565 ? 
 
_diffrn_measured_fraction_theta_max    1.000 
_diffrn_reflns_theta_full              30.00 
_diffrn_measured_fraction_theta_full   1.000 
_refine_diff_density_max    2.717 
_refine_diff_density_min   -1.399 
_refine_diff_density_rms    0.261

