data_xb2667m _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'H74 As2 Cr Fe Mo14 N12 O67' _chemical_formula_weight 2915.56 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' 'Mo' 'Mo' -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'As' 'As' 0.0499 2.0058 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Cr' 'Cr' 0.3209 0.6236 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Fe' 'Fe' 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'N' 'N' 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M P21/n loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x+1/2, y+1/2, -z+1/2' '-x, -y, -z' 'x-1/2, -y-1/2, z-1/2' _cell_length_a 11.342(3) _cell_length_b 19.391(5) _cell_length_c 16.240(4) _cell_angle_alpha 90.00 _cell_angle_beta 91.830(4) _cell_angle_gamma 90.00 _cell_volume 3570.1(15) _cell_formula_units_Z 2 _cell_measurement_temperature 293(2) _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _exptl_crystal_description block _exptl_crystal_colour brown _exptl_crystal_size_max 0.11 _exptl_crystal_size_mid 0.08 _exptl_crystal_size_min 0.06 _exptl_crystal_density_diffrn 2.712 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 2796 _exptl_absorpt_coefficient_mu 3.752 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.704 _exptl_absorpt_correction_T_max 0.798 _exptl_absorpt_process_details sadabs _exptl_special_details ; ? ; _diffrn_ambient_temperature 293(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 'CCD area detector' _diffrn_measurement_method 'phi and omega scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number 0 _diffrn_standards_interval_count 0 _diffrn_standards_interval_time 0 _diffrn_standards_decay_% 0 _diffrn_reflns_number 17631 _diffrn_reflns_av_R_equivalents 0.0541 _diffrn_reflns_av_sigmaI/netI 0.0757 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_k_min -19 _diffrn_reflns_limit_k_max 23 _diffrn_reflns_limit_l_min -15 _diffrn_reflns_limit_l_max 19 _diffrn_reflns_theta_min 1.64 _diffrn_reflns_theta_max 25.10 _reflns_number_total 6337 _reflns_number_gt 4028 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker SMART' _computing_cell_refinement 'Bruker SMART' _computing_data_reduction 'Bruker SAINT' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ 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/[\s^2^(Fo^2^)+(0.0837P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens none _refine_ls_hydrogen_treatment none _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 6337 _refine_ls_number_parameters 381 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0799 _refine_ls_R_factor_gt 0.0510 _refine_ls_wR_factor_ref 0.1481 _refine_ls_wR_factor_gt 0.1382 _refine_ls_goodness_of_fit_ref 0.986 _refine_ls_restrained_S_all 0.986 _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 As1 As 0.40336(9) 0.10986(5) 0.61279(6) 0.0230(3) Uani 1 1 d . . . Cr1 Cr 0.43394(14) -0.05570(7) 0.54840(9) 0.0251(4) Uani 0.50 1 d P . . Fe1 Fe 0.43394(14) -0.05570(7) 0.54840(9) 0.0251(4) Uani 0.50 1 d P . . Mo1 Mo 0.54780(9) 0.24783(4) 0.71089(6) 0.0300(2) Uani 1 1 d . . . Mo2 Mo 0.73725(8) 0.11760(4) 0.61643(6) 0.0271(2) Uani 1 1 d . . . Mo3 Mo 0.39610(9) 0.11196(4) 0.82963(6) 0.0302(2) Uani 1 1 d . . . Mo4 Mo 0.57622(8) -0.02170(4) 0.73710(5) 0.0272(2) Uani 1 1 d . . . Mo5 Mo 0.27544(9) -0.02154(4) 0.73267(6) 0.0304(3) Uani 1 1 d . . . Mo6 Mo 0.69147(9) 0.12050(5) 0.81442(6) 0.0319(3) Uani 1 1 d . . . Mo7 Mo 0.43054(9) -0.23456(4) 0.49153(6) 0.0293(3) Uani 1 1 d . . . O1 O 0.4357(6) -0.1562(3) 0.5522(4) 0.0307(17) Uani 1 1 d . . . O2 O 0.3581(7) -0.2915(3) 0.5537(4) 0.041(2) Uani 1 1 d . . . O3 O 0.5751(7) -0.2600(4) 0.4979(5) 0.043(2) Uani 1 1 d . . . O4 O 0.1977(8) -0.0889(4) 0.7729(5) 0.051(2) Uani 1 1 d . . . O5 O 0.1627(7) 0.0358(4) 0.7061(5) 0.043(2) Uani 1 1 d . . . O6 O 0.3154(7) 0.0296(3) 0.8387(4) 0.0368(19) Uani 1 1 d . . . O7 O 0.4463(7) -0.0623(3) 0.7766(4) 0.0341(18) Uani 1 1 d . . . O8 O 0.3154(6) -0.0543(3) 0.6342(4) 0.0311(17) Uani 1 1 d . . . O9 O 0.5618(6) -0.0535(3) 0.6339(4) 0.0309(17) Uani 1 1 d . . . O10 O 0.6877(6) -0.0710(3) 0.7791(4) 0.0361(18) Uani 1 1 d . . . O11 O 0.4155(7) 0.1310(4) 0.9322(4) 0.045(2) Uani 1 1 d . . . O12 O 0.2850(7) 0.1638(3) 0.7927(4) 0.0386(19) Uani 1 1 d . . . O13 O 0.5196(7) 0.1695(3) 0.7831(4) 0.0323(17) Uani 1 1 d . . . O14 O 0.6898(7) 0.1743(4) 0.8977(4) 0.044(2) Uani 1 1 d . . . O15 O 0.6047(7) 0.3075(4) 0.7828(5) 0.047(2) Uani 1 1 d . . . O16 O 0.6061(7) 0.2863(3) 0.6144(4) 0.0359(18) Uani 1 1 d . . . O17 O 0.7400(6) 0.1935(3) 0.5546(4) 0.0289(16) Uani 1 1 d . . . O18 O 0.8829(6) 0.0988(4) 0.6357(5) 0.041(2) Uani 1 1 d . . . O19 O 0.8240(7) 0.0766(4) 0.8288(5) 0.043(2) Uani 1 1 d . . . O20 O 0.6932(6) 0.0583(3) 0.5376(4) 0.0283(16) Uani 1 1 d . . . O21 O 0.4466(6) 0.0477(3) 0.5394(4) 0.0246(16) Uani 1 1 d . . . O22 O 0.4199(6) 0.0589(3) 0.7055(4) 0.0257(16) Uani 1 1 d . . . O23 O 0.5723(6) 0.0520(3) 0.8390(4) 0.0305(17) Uani 1 1 d . . . O24 O 0.5365(6) 0.1606(3) 0.6160(4) 0.0219(15) Uani 1 1 d . . . O25 O 0.6664(6) 0.0594(3) 0.7016(4) 0.0289(17) Uani 1 1 d . . . O26 O 0.4004(7) 0.2673(3) 0.6969(5) 0.0403(19) Uani 1 1 d . . . O27 O 0.7194(6) 0.1826(3) 0.7253(4) 0.0328(17) Uani 1 1 d . . . O101 O 0.1982(10) 0.8057(6) 0.6388(7) 0.093(3) Uiso 1 1 d . . . O102 O 0.9289(9) 0.9635(5) 0.7205(6) 0.083(3) Uiso 1 1 d . . . O103 O 0.8044(10) 0.9225(6) 0.5709(7) 0.095(4) Uiso 1 1 d . . . O104 O 0.6731(11) 0.8067(6) 0.6435(7) 0.109(4) Uiso 1 1 d . . . O105 O 0.3489(12) 0.1763(6) 0.0928(8) 0.112(4) Uiso 1 1 d . . . O106 O 0.5107(12) 0.2745(7) 0.9620(8) 0.126(5) Uiso 1 1 d . . . O107 O 0.5913(15) 0.0720(8) 0.0449(10) 0.164(6) Uiso 1 1 d . . . O108 O 0.075(2) 0.0865(10) 0.8759(14) 0.218(9) Uiso 1 1 d . . . O109 O 0.0714(17) 0.9410(9) 0.5571(12) 0.192(8) Uiso 1 1 d . . . O110 O 0.723(2) 0.9657(11) 0.9646(14) 0.235(10) Uiso 1 1 d . . . O111 O 0.689(3) 0.6275(13) 0.4362(17) 0.124(9) Uiso 0.50 1 d P . . O112 O 0.4605(17) 0.5757(9) 0.3964(11) 0.190(8) Uiso 1 1 d . . . O113 O 0.897(2) 0.8777(12) 0.4267(16) 0.113(8) Uiso 0.50 1 d P . . O114 O 0.006(3) 0.2922(13) 0.7387(17) 0.121(9) Uiso 0.50 1 d P . . loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 As1 0.0291(6) 0.0184(5) 0.0220(6) -0.0007(4) 0.0090(5) 0.0015(4) Cr1 0.0322(10) 0.0191(7) 0.0246(9) 0.0001(6) 0.0103(7) -0.0004(6) Fe1 0.0322(10) 0.0191(7) 0.0246(9) 0.0001(6) 0.0103(7) -0.0004(6) Mo1 0.0434(6) 0.0203(4) 0.0268(5) -0.0033(4) 0.0092(4) 0.0002(4) Mo2 0.0302(5) 0.0238(4) 0.0276(5) -0.0006(4) 0.0078(4) -0.0014(4) Mo3 0.0388(6) 0.0282(5) 0.0243(5) -0.0045(4) 0.0125(4) -0.0013(4) Mo4 0.0351(6) 0.0227(5) 0.0241(5) 0.0020(4) 0.0062(4) 0.0019(4) Mo5 0.0365(6) 0.0272(5) 0.0287(5) -0.0030(4) 0.0167(4) -0.0052(4) Mo6 0.0369(6) 0.0323(5) 0.0265(5) -0.0009(4) -0.0004(5) -0.0023(4) Mo7 0.0429(6) 0.0190(4) 0.0264(5) 0.0014(4) 0.0093(5) 0.0003(4) O1 0.043(5) 0.025(4) 0.025(4) 0.002(3) 0.007(3) 0.003(3) O2 0.064(6) 0.028(4) 0.033(4) 0.010(3) 0.016(4) -0.005(4) O3 0.044(5) 0.041(4) 0.043(5) -0.006(4) 0.006(4) 0.016(4) O4 0.073(7) 0.041(5) 0.043(5) -0.006(4) 0.031(5) -0.026(4) O5 0.039(5) 0.046(5) 0.046(5) -0.010(4) 0.012(4) 0.011(4) O6 0.054(5) 0.040(4) 0.018(4) 0.003(3) 0.021(4) -0.007(4) O7 0.058(5) 0.020(4) 0.025(4) 0.005(3) 0.011(4) -0.002(3) O8 0.035(5) 0.037(4) 0.022(4) -0.001(3) 0.010(3) -0.007(3) O9 0.043(5) 0.023(3) 0.027(4) -0.001(3) 0.001(4) 0.001(3) O10 0.035(5) 0.040(4) 0.034(4) 0.012(3) 0.006(4) 0.004(3) O11 0.063(6) 0.054(5) 0.019(4) -0.003(4) 0.013(4) -0.007(4) O12 0.044(5) 0.032(4) 0.041(5) -0.001(3) 0.011(4) 0.008(3) O13 0.045(5) 0.026(4) 0.027(4) 0.000(3) 0.010(4) -0.003(3) O14 0.057(6) 0.049(5) 0.025(4) -0.010(4) -0.001(4) -0.012(4) O15 0.066(6) 0.031(4) 0.044(5) -0.003(4) 0.011(4) -0.007(4) O16 0.049(5) 0.022(3) 0.038(5) 0.000(3) 0.015(4) -0.005(3) O17 0.037(4) 0.024(3) 0.026(4) 0.000(3) 0.011(3) -0.005(3) O18 0.033(5) 0.043(4) 0.047(5) 0.003(4) 0.002(4) 0.002(3) O19 0.047(5) 0.040(4) 0.042(5) -0.002(4) -0.012(4) 0.002(4) O20 0.029(4) 0.023(3) 0.034(4) -0.002(3) 0.010(3) -0.003(3) O21 0.032(4) 0.022(3) 0.021(4) -0.004(3) 0.010(3) 0.002(3) O22 0.038(4) 0.020(3) 0.019(4) 0.003(3) 0.008(3) -0.001(3) O23 0.039(5) 0.031(4) 0.021(4) -0.003(3) 0.001(3) 0.004(3) O24 0.031(4) 0.018(3) 0.018(4) -0.002(3) 0.006(3) -0.002(3) O25 0.027(4) 0.028(4) 0.032(4) 0.004(3) 0.005(3) -0.003(3) O26 0.046(5) 0.037(4) 0.039(5) 0.000(3) 0.018(4) 0.013(4) O27 0.042(5) 0.027(4) 0.030(4) -0.001(3) 0.002(4) -0.001(3) _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 As1 O21 1.775(6) . ? As1 O24 1.801(6) . ? As1 O22 1.805(6) . ? Cr1 O1 1.950(6) . ? Cr1 O8 1.967(7) . ? Cr1 O9 1.976(7) . ? Cr1 O20 1.976(7) 3_656 ? Cr1 O21 2.004(7) 3_656 ? Cr1 O21 2.015(6) . ? Mo1 O26 1.722(8) . ? Mo1 O15 1.752(7) . ? Mo1 O16 1.875(7) . ? Mo1 O13 1.951(6) . ? Mo1 O24 2.290(6) . ? Mo1 O27 2.326(7) . ? Mo2 O18 1.711(7) . ? Mo2 O20 1.780(6) . ? Mo2 O17 1.782(6) . ? Mo2 O25 1.976(7) . ? Mo2 O27 2.187(7) . ? Mo2 O24 2.425(6) . ? Mo3 O12 1.705(7) . ? Mo3 O11 1.713(7) . ? Mo3 O6 1.849(7) . ? Mo3 O13 1.962(7) . ? Mo3 O22 2.287(6) . ? Mo3 O23 2.313(7) . ? Mo4 O10 1.710(7) . ? Mo4 O9 1.789(7) . ? Mo4 O7 1.807(7) . ? Mo4 O25 1.972(6) . ? Mo4 O23 2.187(6) . ? Mo4 O22 2.407(6) . ? Mo5 O4 1.717(7) . ? Mo5 O5 1.739(7) . ? Mo5 O8 1.792(7) . ? Mo5 O6 2.026(7) . ? Mo5 O7 2.190(7) . ? Mo5 O22 2.316(6) . ? Mo6 O14 1.709(7) . ? Mo6 O19 1.737(7) . ? Mo6 O27 1.918(7) . ? Mo6 O23 1.946(7) . ? Mo6 O25 2.192(7) . ? Mo6 O13 2.213(7) . ? Mo7 O3 1.712(7) . ? Mo7 O2 1.722(7) . ? Mo7 O1 1.811(6) . ? Mo7 O16 2.024(7) 3_656 ? Mo7 O17 2.201(7) 3_656 ? Mo7 O24 2.299(6) 3_656 ? O16 Mo7 2.024(7) 3_656 ? O17 Mo7 2.201(7) 3_656 ? O20 Fe1 1.976(7) 3_656 ? O20 Cr1 1.976(7) 3_656 ? O21 Fe1 2.004(7) 3_656 ? O21 Cr1 2.004(7) 3_656 ? O24 Mo7 2.299(6) 3_656 ? 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 O21 As1 O24 98.1(3) . . ? O21 As1 O22 99.5(3) . . ? O24 As1 O22 102.1(3) . . ? O1 Cr1 O8 89.9(3) . . ? O1 Cr1 O9 89.6(3) . . ? O8 Cr1 O9 90.3(3) . . ? O1 Cr1 O20 90.2(3) . 3_656 ? O8 Cr1 O20 90.1(3) . 3_656 ? O9 Cr1 O20 179.6(3) . 3_656 ? O1 Cr1 O21 95.4(3) . 3_656 ? O8 Cr1 O21 174.7(3) . 3_656 ? O9 Cr1 O21 90.0(3) . 3_656 ? O20 Cr1 O21 89.6(3) 3_656 3_656 ? O1 Cr1 O21 174.7(3) . . ? O8 Cr1 O21 95.1(3) . . ? O9 Cr1 O21 88.7(3) . . ? O20 Cr1 O21 91.5(3) 3_656 . ? O21 Cr1 O21 79.6(3) 3_656 . ? O26 Mo1 O15 106.2(4) . . ? O26 Mo1 O16 99.7(3) . . ? O15 Mo1 O16 99.3(3) . . ? O26 Mo1 O13 94.2(3) . . ? O15 Mo1 O13 100.2(3) . . ? O16 Mo1 O13 151.8(3) . . ? O26 Mo1 O24 92.3(3) . . ? O15 Mo1 O24 161.5(3) . . ? O16 Mo1 O24 75.2(2) . . ? O13 Mo1 O24 79.8(2) . . ? O26 Mo1 O27 159.7(3) . . ? O15 Mo1 O27 90.2(3) . . ? O16 Mo1 O27 89.1(3) . . ? O13 Mo1 O27 70.7(3) . . ? O24 Mo1 O27 72.2(2) . . ? O18 Mo2 O20 104.0(3) . . ? O18 Mo2 O17 104.2(3) . . ? O20 Mo2 O17 97.9(3) . . ? O18 Mo2 O25 99.3(3) . . ? O20 Mo2 O25 91.3(3) . . ? O17 Mo2 O25 151.7(3) . . ? O18 Mo2 O27 95.1(3) . . ? O20 Mo2 O27 157.3(3) . . ? O17 Mo2 O27 89.0(3) . . ? O25 Mo2 O27 73.3(3) . . ? O18 Mo2 O24 167.2(3) . . ? O20 Mo2 O24 88.7(3) . . ? O17 Mo2 O24 75.4(3) . . ? O25 Mo2 O24 78.2(2) . . ? O27 Mo2 O24 72.1(2) . . ? O12 Mo3 O11 106.5(4) . . ? O12 Mo3 O6 100.1(3) . . ? O11 Mo3 O6 99.1(3) . . ? O12 Mo3 O13 93.3(3) . . ? O11 Mo3 O13 100.4(3) . . ? O6 Mo3 O13 152.1(3) . . ? O12 Mo3 O22 93.5(3) . . ? O11 Mo3 O22 159.9(3) . . ? O6 Mo3 O22 75.8(3) . . ? O13 Mo3 O22 79.1(3) . . ? O12 Mo3 O23 161.2(3) . . ? O11 Mo3 O23 87.8(3) . . ? O6 Mo3 O23 89.4(3) . . ? O13 Mo3 O23 71.7(3) . . ? O22 Mo3 O23 72.9(2) . . ? O10 Mo4 O9 103.0(3) . . ? O10 Mo4 O7 102.5(3) . . ? O9 Mo4 O7 97.5(3) . . ? O10 Mo4 O25 100.3(3) . . ? O9 Mo4 O25 92.0(3) . . ? O7 Mo4 O25 152.6(3) . . ? O10 Mo4 O23 95.5(3) . . ? O9 Mo4 O23 158.5(3) . . ? O7 Mo4 O23 88.8(3) . . ? O25 Mo4 O23 73.9(3) . . ? O10 Mo4 O22 168.2(3) . . ? O9 Mo4 O22 88.8(3) . . ? O7 Mo4 O22 75.8(3) . . ? O25 Mo4 O22 78.8(2) . . ? O23 Mo4 O22 72.8(2) . . ? O4 Mo5 O5 101.5(4) . . ? O4 Mo5 O8 102.6(3) . . ? O5 Mo5 O8 102.1(3) . . ? O4 Mo5 O6 98.8(3) . . ? O5 Mo5 O6 92.3(3) . . ? O8 Mo5 O6 151.1(3) . . ? O4 Mo5 O7 93.5(3) . . ? O5 Mo5 O7 161.3(3) . . ? O8 Mo5 O7 85.2(3) . . ? O6 Mo5 O7 74.3(3) . . ? O4 Mo5 O22 163.9(3) . . ? O5 Mo5 O22 92.3(3) . . ? O8 Mo5 O22 82.4(3) . . ? O6 Mo5 O22 72.0(3) . . ? O7 Mo5 O22 71.4(2) . . ? O14 Mo6 O19 103.0(4) . . ? O14 Mo6 O27 102.7(3) . . ? O19 Mo6 O27 104.3(3) . . ? O14 Mo6 O23 103.2(3) . . ? O19 Mo6 O23 104.0(3) . . ? O27 Mo6 O23 135.7(3) . . ? O14 Mo6 O25 170.7(3) . . ? O19 Mo6 O25 86.3(3) . . ? O27 Mo6 O25 74.3(3) . . ? O23 Mo6 O25 74.3(3) . . ? O14 Mo6 O13 83.5(3) . . ? O19 Mo6 O13 173.5(3) . . ? O27 Mo6 O13 73.8(3) . . ? O23 Mo6 O13 74.2(3) . . ? O25 Mo6 O13 87.2(2) . . ? O3 Mo7 O2 104.7(4) . . ? O3 Mo7 O1 101.2(3) . . ? O2 Mo7 O1 103.1(3) . . ? O3 Mo7 O16 94.5(3) . 3_656 ? O2 Mo7 O16 95.3(3) . 3_656 ? O1 Mo7 O16 151.7(3) . 3_656 ? O3 Mo7 O17 162.6(3) . 3_656 ? O2 Mo7 O17 90.0(3) . 3_656 ? O1 Mo7 O17 83.9(3) . 3_656 ? O16 Mo7 O17 74.7(3) 3_656 3_656 ? O3 Mo7 O24 92.7(3) . 3_656 ? O2 Mo7 O24 159.6(3) . 3_656 ? O1 Mo7 O24 83.5(3) . 3_656 ? O16 Mo7 O24 72.4(2) 3_656 3_656 ? O17 Mo7 O24 71.2(2) 3_656 3_656 ? Mo7 O1 Cr1 145.2(4) . . ? Mo3 O6 Mo5 116.9(3) . . ? Mo4 O7 Mo5 116.8(3) . . ? Mo5 O8 Cr1 146.6(4) . . ? Mo4 O9 Cr1 135.1(4) . . ? Mo1 O13 Mo3 143.8(4) . . ? Mo1 O13 Mo6 108.2(3) . . ? Mo3 O13 Mo6 107.5(3) . . ? Mo1 O16 Mo7 116.4(3) . 3_656 ? Mo2 O17 Mo7 117.3(3) . 3_656 ? Mo2 O20 Fe1 134.9(4) . 3_656 ? Mo2 O20 Cr1 134.9(4) . 3_656 ? Fe1 O20 Cr1 0.00(10) 3_656 3_656 ? As1 O21 Fe1 129.2(3) . 3_656 ? As1 O21 Cr1 129.2(3) . 3_656 ? Fe1 O21 Cr1 0.00(6) 3_656 3_656 ? As1 O21 Cr1 127.2(3) . . ? Fe1 O21 Cr1 100.4(3) 3_656 . ? Cr1 O21 Cr1 100.4(3) 3_656 . ? As1 O22 Mo3 118.5(3) . . ? As1 O22 Mo5 118.2(3) . . ? Mo3 O22 Mo5 91.8(2) . . ? As1 O22 Mo4 126.1(3) . . ? Mo3 O22 Mo4 102.2(2) . . ? Mo5 O22 Mo4 92.4(2) . . ? Mo6 O23 Mo4 105.1(3) . . ? Mo6 O23 Mo3 104.3(3) . . ? Mo4 O23 Mo3 108.5(3) . . ? As1 O24 Mo1 116.9(3) . . ? As1 O24 Mo7 118.4(3) . 3_656 ? Mo1 O24 Mo7 92.5(2) . 3_656 ? As1 O24 Mo2 126.8(3) . . ? Mo1 O24 Mo2 102.7(2) . . ? Mo7 O24 Mo2 92.4(2) 3_656 . ? Mo4 O25 Mo2 152.4(4) . . ? Mo4 O25 Mo6 104.0(3) . . ? Mo2 O25 Mo6 103.4(3) . . ? Mo6 O27 Mo2 105.6(3) . . ? Mo6 O27 Mo1 105.1(3) . . ? Mo2 O27 Mo1 109.3(3) . . ? _diffrn_measured_fraction_theta_max 0.996 _diffrn_reflns_theta_full 25.10 _diffrn_measured_fraction_theta_full 0.996 _refine_diff_density_max 1.861 _refine_diff_density_min -1.005 _refine_diff_density_rms 0.227