 
data_nnn 
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          ? 
_chemical_formula_sum 
 'Cs2 Mo O9 P2' 
_chemical_formula_weight          567.70 
 
loop_ 
 _atom_type_symbol 
 _atom_type_description 
 _atom_type_scat_dispersion_real 
 _atom_type_scat_dispersion_imag 
 _atom_type_scat_source 
 'O'  'O'   0.0106   0.0060 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'P'  'P'   0.1023   0.0942 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Mo'  'Mo'  -1.6832   0.6857 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Cs'  'Cs'  -0.3680   2.1192 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 
_symmetry_cell_setting            'Orthorhombic' 
_symmetry_space_group_name_H-M   'Pbca ' 
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x+1/2, -y, z+1/2' 
 '-x, y+1/2, -z+1/2' 
 'x+1/2, -y+1/2, -z' 
 '-x, -y, -z' 
 'x-1/2, y, -z-1/2' 
 'x, -y-1/2, z-1/2' 
 '-x-1/2, y-1/2, z' 
 
_cell_length_a                    8.394(7) 
_cell_length_b                    9.376(8) 
_cell_length_c                    25.31(2) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  90.00 
_cell_angle_gamma                 90.00 
_cell_volume                      1992(3) 
_cell_formula_units_Z             8 
_cell_measurement_temperature     296(2) 
_cell_measurement_reflns_used     1373 
_cell_measurement_theta_min       2.91
_cell_measurement_theta_max        23.60
 
_exptl_crystal_description       block 
_exptl_crystal_colour             colourless 
_exptl_crystal_size_max          0.175 
_exptl_crystal_size_mid           0.156 
_exptl_crystal_size_min           0.113 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     3.785 
_exptl_crystal_density_method      'not measured' 
_exptl_crystal_F_000              2032 
_exptl_absorpt_coefficient_mu     8.863 
_exptl_absorpt_correction_type    'numerical' 
_exptl_absorpt_correction_T_min   0.5420 
_exptl_absorpt_correction_T_max   0.7456 
_exptl_absorpt_process_details     "face-index"  
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       296(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   'MoKα'
_diffrn_measurement_method        'phi and omega scans' 
_diffrn_detector_area_resol_mean  ? 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             11465 
_diffrn_reflns_av_R_equivalents   0.0713 
_diffrn_reflns_av_sigmaI/netI     0.0575 
_diffrn_reflns_limit_h_min        -7 
_diffrn_reflns_limit_h_max        10 
_diffrn_reflns_limit_k_min        -11 
_diffrn_reflns_limit_k_max        12 
_diffrn_reflns_limit_l_min        -32 
_diffrn_reflns_limit_l_max        32 
_diffrn_reflns_theta_min          2.91 
_diffrn_reflns_theta_max          27.47 
_reflns_number_total              2279 
_reflns_number_gt                 1682 
_reflns_threshold_expression      >2sigma(I) 
 
_computing_data_collection        ? 
_computing_cell_refinement        ? 
_computing_data_reduction         ? 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     ? 
_computing_publication_material   ? 
 
_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)+(0.0249P)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      SHELXL 
_refine_ls_extinction_coef        0.00035(6) 
_refine_ls_extinction_expression 
 'Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^' 
_refine_ls_number_reflns          2279 
_refine_ls_number_parameters      128 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0560 
_refine_ls_R_factor_gt            0.0363 
_refine_ls_wR_factor_ref          0.0759 
_refine_ls_wR_factor_gt           0.0694 
_refine_ls_goodness_of_fit_ref    1.022 
_refine_ls_restrained_S_all       1.022 
_refine_ls_shift/su_max           0.001 
_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 
Cs1 Cs 0.14393(6) 0.65042(5) 0.443543(19) 0.02586(15) Uani 1 1 d . . . 
Cs2 Cs 0.14825(6) 0.97680(5) 0.28501(2) 0.03225(16) Uani 1 1 d . . . 
Mo1 Mo 0.31109(7) 0.48472(6) 0.57440(2) 0.01591(16) Uani 1 1 d . . . 
P1 P -0.1956(2) 0.76216(18) 0.33110(7) 0.0180(4) Uani 1 1 d . . . 
P2 P -0.0144(2) 0.30176(17) 0.38440(7) 0.0171(4) Uani 1 1 d . . . 
O1 O 0.4253(6) 0.5934(5) 0.5373(2) 0.0275(12) Uani 1 1 d . . . 
O2 O 0.2229(6) 0.3820(5) 0.52736(19) 0.0266(12) Uani 1 1 d . . . 
O3 O -0.1808(6) 0.6286(5) 0.3643(2) 0.0251(12) Uani 1 1 d . . . 
O4 O -0.1235(6) 0.8914(5) 0.3583(2) 0.0238(12) Uani 1 1 d . . . 
O5 O -0.3874(6) 0.7974(5) 0.33060(18) 0.0195(11) Uani 1 1 d . . . 
O6 O -0.1451(6) 0.7488(5) 0.27562(19) 0.0292(13) Uani 1 1 d . . . 
O7 O 0.1473(6) 0.3563(5) 0.37509(19) 0.0242(11) Uani 1 1 d . . . 
O8 O -0.0119(5) 0.1453(4) 0.40469(19) 0.0187(11) Uani 1 1 d . . . 
O9 O -0.1132(5) 0.3892(4) 0.42396(18) 0.0168(11) Uani 1 1 d . . . 
 
 
_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 
Cs1 O1 3.062(5) 4_466 ? 
Cs1 O7 3.131(5) 8_665 ? 
Cs1 O2 3.180(6) 5_566 ? 
Cs1 O2 3.235(5) 8_665 ? 
Cs1 O8 3.242(5) 8_665 ? 
Cs1 O7 3.257(5) . ? 
Cs1 O9 3.301(5) . ? 
Cs1 O2 3.358(5) . ? 
Cs1 O9 3.385(5) 5_566 ? 
Cs1 O3 3.391(5) . ? 
Cs1 O1 3.391(6) . ? 
Cs1 P2 3.732(3) 8_665 ? 
Cs2 O6 2.976(5) 3 ? 
Cs2 O4 3.049(5) . ? 
Cs2 O7 3.069(5) 8_665 ? 
Cs2 O6 3.152(5) 6_656 ? 
Cs2 O6 3.270(5) . ? 
Cs2 O5 3.389(5) 6_656 ? 
Cs2 O8 3.672(5) 1_565 ? 
Cs2 P1 3.707(3) . ? 
Cs2 P1 3.796(3) 6_656 ? 
Cs2 P1 3.994(3) 3 ? 
Cs2 P2 4.181(3) 1_565 ? 
Cs2 Cs2 4.556(3) 6_556 ? 
Mo1 O1 1.684(5) . ? 
Mo1 O2 1.701(5) . ? 
Mo1 O8 1.994(4) 4_556 ? 
Mo1 O9 2.039(4) 5_566 ? 
Mo1 O4 2.133(5) 4_566 ? 
Mo1 O3 2.176(5) 5_566 ? 
Mo1 Cs1 4.050(3) 5_566 ? 
Mo1 Cs1 4.440(3) 4_566 ? 
P1 O6 1.472(5) . ? 
P1 O3 1.513(5) . ? 
P1 O4 1.520(5) . ? 
P1 O5 1.643(5) . ? 
P1 Cs2 3.796(3) 6_556 ? 
P1 Cs2 3.994(3) 3_545 ? 
P2 O7 1.469(5) . ? 
P2 O9 1.537(5) . ? 
P2 O8 1.554(4) . ? 
P2 O5 1.593(5) 8 ? 
P2 Cs1 3.732(3) 8_655 ? 
P2 Cs2 4.181(3) 1_545 ? 
O1 Cs1 3.062(5) 4_566 ? 
O2 Cs1 3.180(6) 5_566 ? 
O2 Cs1 3.235(5) 8_655 ? 
O3 Mo1 2.176(5) 5_566 ? 
O4 Mo1 2.133(5) 4_466 ? 
O5 P2 1.593(5) 8_565 ? 
O5 Cs2 3.389(5) 6_556 ? 
O6 Cs2 2.976(5) 3_545 ? 
O6 Cs2 3.152(5) 6_556 ? 
O7 Cs2 3.069(5) 8_655 ? 
O7 Cs1 3.131(5) 8_655 ? 
O8 Mo1 1.994(4) 4_456 ? 
O8 Cs1 3.242(5) 8_655 ? 
O8 Cs2 3.672(5) 1_545 ? 
O9 Mo1 2.039(4) 5_566 ? 
O9 Cs1 3.385(5) 5_566 ? 
 
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 Cs1 O7 86.51(14) 4_466 8_665 ? 
O1 Cs1 O2 57.18(13) 4_466 5_566 ? 
O7 Cs1 O2 136.81(12) 8_665 5_566 ? 
O1 Cs1 O2 64.97(13) 4_466 8_665 ? 
O7 Cs1 O2 75.86(14) 8_665 8_665 ? 
O2 Cs1 O2 104.29(9) 5_566 8_665 ? 
O1 Cs1 O8 129.10(12) 4_466 8_665 ? 
O7 Cs1 O8 46.20(12) 8_665 8_665 ? 
O2 Cs1 O8 172.41(11) 5_566 8_665 ? 
O2 Cs1 O8 83.08(12) 8_665 8_665 ? 
O1 Cs1 O7 138.91(13) 4_466 . ? 
O7 Cs1 O7 102.87(14) 8_665 . ? 
O2 Cs1 O7 92.91(12) 5_566 . ? 
O2 Cs1 O7 156.08(12) 8_665 . ? 
O8 Cs1 O7 79.50(11) 8_665 . ? 
O1 Cs1 O9 102.35(13) 4_466 . ? 
O7 Cs1 O9 137.74(13) 8_665 . ? 
O2 Cs1 O9 48.02(11) 5_566 . ? 
O2 Cs1 O9 145.31(12) 8_665 . ? 
O8 Cs1 O9 124.49(11) 8_665 . ? 
O7 Cs1 O9 45.40(12) . . ? 
O1 Cs1 O2 127.34(13) 4_466 . ? 
O7 Cs1 O2 134.55(13) 8_665 . ? 
O2 Cs1 O2 88.46(13) 5_566 . ? 
O2 Cs1 O2 91.17(13) 8_665 . ? 
O8 Cs1 O2 89.58(12) 8_665 . ? 
O7 Cs1 O2 72.53(13) . . ? 
O9 Cs1 O2 70.60(12) . . ? 
O1 Cs1 O9 83.33(12) 4_466 5_566 ? 
O7 Cs1 O9 131.23(12) 8_665 5_566 ? 
O2 Cs1 O9 71.70(12) 5_566 5_566 ? 
O2 Cs1 O9 56.64(12) 8_665 5_566 ? 
O8 Cs1 O9 111.82(11) 8_665 5_566 ? 
O7 Cs1 O9 115.78(11) . 5_566 ? 
O9 Cs1 O9 91.00(11) . 5_566 ? 
O2 Cs1 O9 46.09(11) . 5_566 ? 
O1 Cs1 O3 70.07(13) 4_466 . ? 
O7 Cs1 O3 99.18(13) 8_665 . ? 
O2 Cs1 O3 49.70(13) 5_566 . ? 
O2 Cs1 O3 134.95(12) 8_665 . ? 
O8 Cs1 O3 125.83(13) 8_665 . ? 
O7 Cs1 O3 68.97(12) . . ? 
O9 Cs1 O3 48.78(11) . . ? 
O2 Cs1 O3 119.17(12) . . ? 
O9 Cs1 O3 121.24(12) 5_566 . ? 
O1 Cs1 O1 115.50(7) 4_466 . ? 
O7 Cs1 O1 95.45(13) 8_665 . ? 
O2 Cs1 O1 119.80(13) 5_566 . ? 
O2 Cs1 O1 53.56(12) 8_665 . ? 
O8 Cs1 O1 63.04(13) 8_665 . ? 
O7 Cs1 O1 103.46(12) . . ? 
O9 Cs1 O1 116.32(12) . . ? 
O2 Cs1 O1 45.73(12) . . ? 
O9 Cs1 O1 48.85(12) 5_566 . ? 
O3 Cs1 O1 164.71(11) . . ? 
O1 Cs1 P2 105.34(11) 4_466 8_665 ? 
O7 Cs1 P2 22.62(9) 8_665 8_665 ? 
O2 Cs1 P2 159.39(9) 5_566 8_665 ? 
O2 Cs1 P2 73.73(10) 8_665 8_665 ? 
O8 Cs1 P2 24.49(8) 8_665 8_665 ? 
O7 Cs1 P2 95.81(9) . 8_665 ? 
O9 Cs1 P2 140.04(9) . 8_665 ? 
O2 Cs1 P2 111.97(10) . 8_665 ? 
O9 Cs1 P2 120.20(9) 5_566 8_665 ? 
O3 Cs1 P2 117.08(10) . 8_665 ? 
O1 Cs1 P2 76.14(10) . 8_665 ? 
O6 Cs2 O4 122.18(13) 3 . ? 
O6 Cs2 O7 134.70(14) 3 8_665 ? 
O4 Cs2 O7 82.49(15) . 8_665 ? 
O6 Cs2 O6 109.57(14) 3 6_656 ? 
O4 Cs2 O6 122.01(13) . 6_656 ? 
O7 Cs2 O6 78.72(13) 8_665 6_656 ? 
O6 Cs2 O6 121.07(7) 3 . ? 
O4 Cs2 O6 46.28(13) . . ? 
O7 Cs2 O6 103.56(13) 8_665 . ? 
O6 Cs2 O6 86.30(13) 6_656 . ? 
O6 Cs2 O5 88.81(14) 3 6_656 ? 
O4 Cs2 O5 109.23(12) . 6_656 ? 
O7 Cs2 O5 120.54(13) 8_665 6_656 ? 
O6 Cs2 O5 44.87(12) 6_656 6_656 ? 
O6 Cs2 O5 63.01(12) . 6_656 ? 
O6 Cs2 O8 93.07(13) 3 1_565 ? 
O4 Cs2 O8 48.44(11) . 1_565 ? 
O7 Cs2 O8 75.53(13) 8_665 1_565 ? 
O6 Cs2 O8 153.52(11) 6_656 1_565 ? 
O6 Cs2 O8 93.76(11) . 1_565 ? 
O5 Cs2 O8 153.37(11) 6_656 1_565 ? 
O6 Cs2 P1 128.36(11) 3 . ? 
O4 Cs2 P1 23.51(9) . . ? 
O7 Cs2 P1 90.09(11) 8_665 . ? 
O6 Cs2 P1 102.32(11) 6_656 . ? 
O6 Cs2 P1 23.30(9) . . ? 
O5 Cs2 P1 86.19(9) 6_656 . ? 
O8 Cs2 P1 71.88(8) 1_565 . ? 
O6 Cs2 P1 93.32(11) 3 6_656 ? 
O4 Cs2 P1 126.21(10) . 6_656 ? 
O7 Cs2 P1 100.78(11) 8_665 6_656 ? 
O6 Cs2 P1 22.07(9) 6_656 6_656 ? 
O6 Cs2 P1 81.79(10) . 6_656 ? 
O5 Cs2 P1 25.65(9) 6_656 6_656 ? 
O8 Cs2 P1 173.47(7) 1_565 6_656 ? 
P1 Cs2 P1 102.99(6) . 6_656 ? 
O6 Cs2 P1 17.74(10) 3 3 ? 
O4 Cs2 P1 134.31(10) . 3 ? 
O7 Cs2 P1 137.53(10) 8_665 3 ? 
O6 Cs2 P1 92.37(11) 6_656 3 ? 
O6 Cs2 P1 117.34(10) . 3 ? 
O5 Cs2 P1 72.89(10) 6_656 3 ? 
O8 Cs2 P1 110.81(9) 1_565 3 ? 
P1 Cs2 P1 132.27(3) . 3 ? 
P1 Cs2 P1 75.58(7) 6_656 3 ? 
O6 Cs2 P2 71.52(11) 3 1_565 ? 
O4 Cs2 P2 65.21(10) . 1_565 ? 
O7 Cs2 P2 90.21(11) 8_665 1_565 ? 
O6 Cs2 P2 165.26(10) 6_656 1_565 ? 
O6 Cs2 P2 105.93(10) . 1_565 ? 
O5 Cs2 P2 148.51(8) 6_656 1_565 ? 
O8 Cs2 P2 21.61(7) 1_565 1_565 ? 
P1 Cs2 P2 87.25(6) . 1_565 ? 
P1 Cs2 P2 164.84(4) 6_656 1_565 ? 
P1 Cs2 P2 89.26(7) 3 1_565 ? 
O6 Cs2 Cs2 77.95(10) 3 6_556 ? 
O4 Cs2 Cs2 63.10(11) . 6_556 ? 
O7 Cs2 Cs2 143.52(9) 8_665 6_556 ? 
O6 Cs2 Cs2 108.51(10) 6_656 6_556 ? 
O6 Cs2 Cs2 43.77(10) . 6_556 ? 
O5 Cs2 Cs2 65.34(8) 6_656 6_556 ? 
O8 Cs2 Cs2 89.07(8) 1_565 6_556 ? 
P1 Cs2 Cs2 53.50(5) . 6_556 ? 
P1 Cs2 Cs2 90.97(5) 6_656 6_556 ? 
P1 Cs2 Cs2 78.77(4) 3 6_556 ? 
P2 Cs2 Cs2 86.18(4) 1_565 6_556 ? 
O1 Mo1 O2 101.6(3) . . ? 
O1 Mo1 O8 95.4(2) . 4_556 ? 
O2 Mo1 O8 99.4(2) . 4_556 ? 
O1 Mo1 O9 97.2(2) . 5_566 ? 
O2 Mo1 O9 89.3(2) . 5_566 ? 
O8 Mo1 O9 162.98(19) 4_556 5_566 ? 
O1 Mo1 O4 88.2(2) . 4_566 ? 
O2 Mo1 O4 168.3(2) . 4_566 ? 
O8 Mo1 O4 85.96(18) 4_556 4_566 ? 
O9 Mo1 O4 82.97(18) 5_566 4_566 ? 
O1 Mo1 O3 168.2(2) . 5_566 ? 
O2 Mo1 O3 90.2(2) . 5_566 ? 
O8 Mo1 O3 83.49(19) 4_556 5_566 ? 
O9 Mo1 O3 81.89(19) 5_566 5_566 ? 
O4 Mo1 O3 80.0(2) 4_566 5_566 ? 
O1 Mo1 Cs1 59.54(18) . . ? 
O2 Mo1 Cs1 58.46(17) . . ? 
O8 Mo1 Cs1 137.20(14) 4_556 . ? 
O9 Mo1 Cs1 59.72(13) 5_566 . ? 
O4 Mo1 Cs1 123.43(14) 4_566 . ? 
O3 Mo1 Cs1 128.07(14) 5_566 . ? 
O1 Mo1 Cs1 131.57(18) . 5_566 ? 
O2 Mo1 Cs1 48.22(17) . 5_566 ? 
O8 Mo1 Cs1 122.78(13) 4_556 5_566 ? 
O9 Mo1 Cs1 54.21(14) 5_566 5_566 ? 
O4 Mo1 Cs1 120.17(13) 4_566 5_566 ? 
O3 Mo1 Cs1 56.85(14) 5_566 5_566 ? 
Cs1 Mo1 Cs1 72.03(3) . 5_566 ? 
O1 Mo1 Cs1 28.23(18) . 4_566 ? 
O2 Mo1 Cs1 129.68(17) . 4_566 ? 
O8 Mo1 Cs1 91.68(14) 4_556 4_566 ? 
O9 Mo1 Cs1 93.91(14) 5_566 4_566 ? 
O4 Mo1 Cs1 60.01(14) 4_566 4_566 ? 
O3 Mo1 Cs1 139.95(14) 5_566 4_566 ? 
Cs1 Mo1 Cs1 80.41(4) . 4_566 ? 
Cs1 Mo1 Cs1 145.39(2) 5_566 4_566 ? 
O6 P1 O3 115.8(3) . . ? 
O6 P1 O4 112.7(3) . . ? 
O3 P1 O4 112.0(3) . . ? 
O6 P1 O5 106.9(3) . . ? 
O3 P1 O5 104.5(3) . . ? 
O4 P1 O5 103.5(3) . . ? 
O6 P1 Cs2 61.5(2) . . ? 
O3 P1 Cs2 124.1(2) . . ? 
O4 P1 Cs2 53.15(19) . . ? 
O5 P1 Cs2 130.64(18) . . ? 
O6 P1 Cs2 53.5(2) . 6_556 ? 
O3 P1 Cs2 153.8(2) . 6_556 ? 
O4 P1 Cs2 93.8(2) . 6_556 ? 
O5 P1 Cs2 63.21(17) . 6_556 ? 
Cs2 P1 Cs2 74.77(6) . 6_556 ? 
O6 P1 Cs2 38.0(2) . 3_545 ? 
O3 P1 Cs2 81.1(2) . 3_545 ? 
O4 P1 Cs2 145.9(2) . 3_545 ? 
O5 P1 Cs2 103.08(17) . 3_545 ? 
Cs2 P1 Cs2 93.13(6) . 3_545 ? 
Cs2 P1 Cs2 79.61(7) 6_556 3_545 ? 
O6 P1 Cs1 115.7(2) . . ? 
O3 P1 Cs1 49.9(2) . . ? 
O4 P1 Cs1 67.5(2) . . ? 
O5 P1 Cs1 136.59(18) . . ? 
Cs2 P1 Cs1 79.56(6) . . ? 
Cs2 P1 Cs1 154.10(5) 6_556 . ? 
Cs2 P1 Cs1 105.46(6) 3_545 . ? 
O7 P2 O9 114.7(3) . . ? 
O7 P2 O8 111.7(3) . . ? 
O9 P2 O8 107.2(3) . . ? 
O7 P2 O5 110.5(3) . 8 ? 
O9 P2 O5 106.9(3) . 8 ? 
O8 P2 O5 105.4(3) . 8 ? 
O7 P2 Cs1 55.0(2) . 8_655 ? 
O9 P2 Cs1 113.02(19) . 8_655 ? 
O8 P2 Cs1 59.82(18) . 8_655 ? 
O5 P2 Cs1 139.89(18) 8 8_655 ? 
O7 P2 Cs1 56.3(2) . . ? 
O9 P2 Cs1 58.50(18) . . ? 
O8 P2 Cs1 132.2(2) . . ? 
O5 P2 Cs1 122.39(18) 8 . ? 
Cs1 P2 Cs1 83.04(6) 8_655 . ? 
O7 P2 Cs2 81.7(2) . 1_545 ? 
O9 P2 Cs2 163.14(19) . 1_545 ? 
O8 P2 Cs2 60.44(19) . 1_545 ? 
O5 P2 Cs2 68.63(17) 8 1_545 ? 
Cs1 P2 Cs2 72.07(5) 8_655 1_545 ? 
Cs1 P2 Cs2 138.03(6) . 1_545 ? 
Mo1 O1 Cs1 136.7(3) . 4_566 ? 
Mo1 O1 Cs1 95.1(2) . . ? 
Cs1 O1 Cs1 113.85(14) 4_566 . ? 
Mo1 O2 Cs1 108.3(2) . 5_566 ? 
Mo1 O2 Cs1 133.5(2) . 8_655 ? 
Cs1 O2 Cs1 114.99(14) 5_566 8_655 ? 
Mo1 O2 Cs1 95.96(18) . . ? 
Cs1 O2 Cs1 91.54(13) 5_566 . ? 
Cs1 O2 Cs1 99.02(14) 8_655 . ? 
P1 O3 Mo1 139.4(3) . 5_566 ? 
P1 O3 Cs1 110.2(2) . . ? 
Mo1 O3 Cs1 90.64(17) 5_566 . ? 
P1 O4 Mo1 134.0(3) . 4_466 ? 
P1 O4 Cs2 103.3(2) . . ? 
Mo1 O4 Cs2 122.38(18) 4_466 . ? 
P2 O5 P1 120.4(3) 8_565 . ? 
P2 O5 Cs2 140.5(2) 8_565 6_556 ? 
P1 O5 Cs2 91.14(19) . 6_556 ? 
P1 O6 Cs2 124.2(3) . 3_545 ? 
P1 O6 Cs2 104.4(2) . 6_556 ? 
Cs2 O6 Cs2 108.98(16) 3_545 6_556 ? 
P1 O6 Cs2 95.2(2) . . ? 
Cs2 O6 Cs2 127.18(16) 3_545 . ? 
Cs2 O6 Cs2 90.36(14) 6_556 . ? 
P2 O7 Cs2 139.8(3) . 8_655 ? 
P2 O7 Cs1 102.3(2) . 8_655 ? 
Cs2 O7 Cs1 108.98(15) 8_655 8_655 ? 
P2 O7 Cs1 101.6(2) . . ? 
Cs2 O7 Cs1 95.07(13) 8_655 . ? 
Cs1 O7 Cs1 103.44(15) 8_655 . ? 
P2 O8 Mo1 130.9(3) . 4_456 ? 
P2 O8 Cs1 95.69(19) . 8_655 ? 
Mo1 O8 Cs1 129.69(19) 4_456 8_655 ? 
P2 O8 Cs2 98.0(2) . 1_545 ? 
Mo1 O8 Cs2 103.22(16) 4_456 1_545 ? 
Cs1 O8 Cs2 84.72(11) 8_655 1_545 ? 
P2 O9 Mo1 139.6(3) . 5_566 ? 
P2 O9 Cs1 98.1(2) . . ? 
Mo1 O9 Cs1 95.72(16) 5_566 . ? 
P2 O9 Cs1 128.9(2) . 5_566 ? 
Mo1 O9 Cs1 88.93(15) 5_566 5_566 ? 
Cs1 O9 Cs1 89.00(11) . 5_566 ? 
 
_diffrn_measured_fraction_theta_max    0.999 
_diffrn_reflns_theta_full              27.47 
_diffrn_measured_fraction_theta_full   0.999 
_refine_diff_density_max    1.098 
_refine_diff_density_min   -1.120 
_refine_diff_density_rms    0.244 
