 
data_cy4582
 
_audit_creation_method            SHELXL-97
_chemical_name_systematic
;
 ?
;
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          ?
_chemical_formula_sum
 'C38 H94 Mo8 N6 O26'
_chemical_formula_weight          1850.71
 
loop_
 _atom_type_symbol
 _atom_type_description
 _atom_type_scat_dispersion_real
 _atom_type_scat_dispersion_imag
 _atom_type_scat_source
 'Mo'  'Mo'  -1.6832   0.6857
 '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'
 'N'  'N'   0.0061   0.0033
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'C'  'C'   0.0033   0.0016
 '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    P2(1)/c
 
loop_
 _symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x, -y-1/2, z-1/2'
 
_cell_length_a                    12.6794(7)
_cell_length_b                    11.9967(6)
_cell_length_c                    20.8920(11)
_cell_angle_alpha                 90.00
_cell_angle_beta                  95.176(3)
_cell_angle_gamma                 90.00
_cell_volume                      3164.9(3)
_cell_formula_units_Z             2
_cell_measurement_temperature     150(2)
_cell_measurement_reflns_used     9896
_cell_measurement_theta_min       2.34
_cell_measurement_theta_max       26.4
 
_exptl_crystal_description        block
_exptl_crystal_colour             colourless
_exptl_crystal_size_max           0.10
_exptl_crystal_size_mid           0.10
_exptl_crystal_size_min           0.06
_exptl_crystal_density_meas       none
_exptl_crystal_density_diffrn     1.942
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000              1848
_exptl_absorpt_coefficient_mu     1.613
_exptl_absorpt_correction_type    empirical
_exptl_absorpt_correction_T_min   0.8553
_exptl_absorpt_correction_T_max   0.9094
_exptl_absorpt_process_details    SADABS
 
_exptl_special_details
;
 ?
;
 
_diffrn_ambient_temperature       150(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 ApexII Quasar'
_diffrn_measurement_method        'ω & π scans'
_diffrn_detector_area_resol_mean  ?
_diffrn_standards_number          ?
_diffrn_standards_interval_count  ?
_diffrn_standards_interval_time   ?
_diffrn_standards_decay_%         none
_diffrn_reflns_number             42348
_diffrn_reflns_av_R_equivalents   0.0485
_diffrn_reflns_av_sigmaI/netI     0.0340
_diffrn_reflns_limit_h_min        -15
_diffrn_reflns_limit_h_max        12
_diffrn_reflns_limit_k_min        -14
_diffrn_reflns_limit_k_max        14
_diffrn_reflns_limit_l_min        -25
_diffrn_reflns_limit_l_max        25
_diffrn_reflns_theta_min          1.96
_diffrn_reflns_theta_max          26.00
_reflns_number_total              6210
_reflns_number_gt                 5137
_reflns_threshold_expression      >2σ(I)
 
_computing_data_collection        Apex2
_computing_cell_refinement        Apex2
_computing_data_reduction         Apex2
_computing_structure_solution     'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 2008)'
_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 > 2σ(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)+(0.0367P)²+4.3784P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary      direct
_atom_sites_solution_secondary    difmap
_atom_sites_solution_hydrogens    geom
_refine_ls_hydrogen_treatment     constr
_refine_ls_extinction_method      none
_refine_ls_extinction_coef        none
_refine_ls_number_reflns          6210
_refine_ls_number_parameters      378
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0393
_refine_ls_R_factor_gt            0.0286
_refine_ls_wR_factor_ref          0.0760
_refine_ls_wR_factor_gt           0.0687
_refine_ls_goodness_of_fit_ref    1.050
_refine_ls_restrained_S_all       1.050
_refine_ls_shift/su_max           0.003
_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
Mo1 Mo 1.21995(2) 0.18585(3) 0.975461(15) 0.01618(9) Uani 1 1 d . A 1
Mo2 Mo 0.92674(2) -0.02904(3) 0.924894(13) 0.01229(8) Uani 1 1 d . . 1
Mo3 Mo 0.96315(2) 0.22789(3) 0.962244(14) 0.01402(9) Uani 1 1 d . A 1
Mo4 Mo 0.82288(2) 0.07416(3) 1.064934(14) 0.01471(9) Uani 1 1 d . . 1
O1 O 0.88986(18) 0.3316(2) 0.99151(12) 0.0210(6) Uani 1 1 d . A 1
O2 O 0.95938(19) 0.2534(2) 0.88198(12) 0.0214(6) Uani 1 1 d . A 1
O3 O 1.10175(18) 0.2769(2) 0.99189(11) 0.0155(5) Uani 1 1 d . A 1
O4 O 0.96582(17) 0.1440(2) 1.06448(11) 0.0146(5) Uani 1 1 d . . 1
O5 O 0.92587(19) 0.0022(2) 0.84585(11) 0.0198(5) Uani 1 1 d . B 1
O6 O 1.18161(18) 0.1184(2) 1.07193(11) 0.0168(5) Uani 1 1 d . . 1
O7 O 1.06146(17) 0.0650(2) 0.96208(11) 0.0149(5) Uani 1 1 d . . 1
O8 O 1.2257(2) 0.2144(2) 0.89602(13) 0.0251(6) Uani 1 1 d . A 1
O9 O 1.32415(19) 0.2570(2) 1.01290(13) 0.0246(6) Uani 1 1 d . A 1
O10 O 1.27175(18) 0.0350(2) 0.97281(12) 0.0170(5) Uani 1 1 d . . 1
O11 O 0.83089(19) 0.0386(2) 1.14393(12) 0.0238(6) Uani 1 1 d . C 1
O12 O 0.74574(19) 0.1903(2) 1.06030(12) 0.0219(6) Uani 1 1 d . D 1
O13 O 0.85994(17) 0.1022(2) 0.95774(11) 0.0144(5) Uani 1 1 d . A 1
O14 O 0.5506(2) 0.5850(3) 0.15947(14) 0.0390(8) Uani 1 1 d . E 1
N1 N 0.0152(2) 0.1057(3) 0.68088(13) 0.0170(6) Uani 1 1 d . F 1
N2 N 0.5501(2) 0.0652(3) 0.85053(14) 0.0207(7) Uani 1 1 d . G 1
N3 N 0.5986(2) 0.4707(3) 0.08033(15) 0.0251(7) Uani 1 1 d . E 1
C1 C 0.0742(3) 0.1125(3) 0.62050(17) 0.0227(8) Uani 1 1 d . F 1
H1A H 0.0232 0.0978 0.5827 0.027 Uiso 1 1 calc R F 1
H1B H 0.1006 0.1896 0.6164 0.027 Uiso 1 1 calc R F 1
C2 C 0.1666(3) 0.0332(4) 0.61829(19) 0.0300(10) Uani 1 1 d . F 1
H2A H 0.1993 0.0438 0.5780 0.045 Uiso 1 1 calc R F 1
H2B H 0.1414 -0.0438 0.6208 0.045 Uiso 1 1 calc R F 1
H2C H 0.2190 0.0482 0.6547 0.045 Uiso 1 1 calc R F 1
C3 C 0.0899(3) 0.1247(3) 0.74075(17) 0.0237(9) Uani 1 1 d . F 1
H3A H 0.0478 0.1282 0.7783 0.028 Uiso 1 1 calc R F 1
H3B H 0.1380 0.0598 0.7468 0.028 Uiso 1 1 calc R F 1
C4 C 0.1561(4) 0.2295(4) 0.7394(2) 0.0374(11) Uani 1 1 d . F 1
H4A H 0.2020 0.2356 0.7795 0.056 Uiso 1 1 calc R F 1
H4B H 0.1094 0.2946 0.7347 0.056 Uiso 1 1 calc R F 1
H4C H 0.1997 0.2262 0.7030 0.056 Uiso 1 1 calc R F 1
C5 C -0.0340(3) -0.0082(3) 0.68727(19) 0.0244(9) Uani 1 1 d . F 1
H5A H -0.0646 -0.0123 0.7292 0.029 Uiso 1 1 calc R F 1
H5B H 0.0224 -0.0652 0.6875 0.029 Uiso 1 1 calc R F 1
C6 C -0.1200(3) -0.0361(4) 0.6342(2) 0.0340(10) Uani 1 1 d . F 1
H6A H -0.1476 -0.1110 0.6414 0.051 Uiso 1 1 calc R F 1
H6B H -0.0902 -0.0338 0.5925 0.051 Uiso 1 1 calc R F 1
H6C H -0.1775 0.0183 0.6345 0.051 Uiso 1 1 calc R F 1
C7 C -0.0687(3) 0.1951(3) 0.67365(18) 0.0223(8) Uani 1 1 d . F 1
H7A H -0.1101 0.1850 0.6316 0.027 Uiso 1 1 calc R F 1
H7B H -0.0330 0.2684 0.6728 0.027 Uiso 1 1 calc R F 1
C8 C -0.1457(3) 0.1983(4) 0.7256(2) 0.0319(10) Uani 1 1 d . F 1
H8A H -0.1966 0.2590 0.7165 0.048 Uiso 1 1 calc R F 1
H8B H -0.1063 0.2109 0.7676 0.048 Uiso 1 1 calc R F 1
H8C H -0.1836 0.1272 0.7262 0.048 Uiso 1 1 calc R F 1
C9 C 0.4863(4) 0.1303(5) 0.8964(2) 0.0228(13) Uani 0.743(5) 1 d P G 1
H9A H 0.4690 0.2043 0.8774 0.027 Uiso 1 1 calc R G 1
H9B H 0.4186 0.0907 0.9003 0.027 Uiso 1 1 calc R G 1
C10 C 0.5406(3) 0.1466(4) 0.96227(19) 0.0362(11) Uani 1 1 d . G 1
H10A H 0.4942 0.1885 0.9886 0.054 Uiso 1 1 calc R G 1
H10B H 0.6065 0.1883 0.9593 0.054 Uiso 1 1 calc R G 1
H10C H 0.5568 0.0739 0.9821 0.054 Uiso 1 1 calc R G 1
C11 C 0.5636(4) -0.0533(4) 0.8749(3) 0.0258(13) Uani 0.743(5) 1 d P G 1
H11A H 0.4940 -0.0807 0.8862 0.031 Uiso 1 1 calc R G 1
H11B H 0.6119 -0.0524 0.9149 0.031 Uiso 1 1 calc R G 1
C12 C 0.6065(4) -0.1351(4) 0.8285(2) 0.0403(11) Uani 1 1 d . G 1
H12A H 0.6128 -0.2090 0.8485 0.060 Uiso 1 1 calc R G 1
H12B H 0.6764 -0.1101 0.8178 0.060 Uiso 1 1 calc R G 1
H12C H 0.5581 -0.1390 0.7892 0.060 Uiso 1 1 calc R G 1
C13 C 0.6593(4) 0.1160(5) 0.8489(3) 0.0271(13) Uani 0.743(5) 1 d P G 1
H13A H 0.6993 0.1027 0.8912 0.033 Uiso 1 1 calc R G 1
H13B H 0.6965 0.0755 0.8163 0.033 Uiso 1 1 calc R G 1
C14 C 0.6643(4) 0.2369(4) 0.8347(3) 0.0543(15) Uani 1 1 d . G 1
H14A H 0.7385 0.2601 0.8351 0.082 Uiso 1 1 calc R G 1
H14B H 0.6300 0.2789 0.8673 0.082 Uiso 1 1 calc R G 1
H14C H 0.6278 0.2517 0.7922 0.082 Uiso 1 1 calc R G 1
C15 C 0.4919(4) 0.0694(5) 0.7848(2) 0.0295(14) Uani 0.743(5) 1 d P G 1
H15A H 0.4854 0.1486 0.7718 0.035 Uiso 1 1 calc R G 1
H15B H 0.5364 0.0322 0.7546 0.035 Uiso 1 1 calc R G 1
C16 C 0.3854(3) 0.0192(5) 0.7762(2) 0.0496(14) Uani 1 1 d . G 1
H16A H 0.3565 0.0280 0.7314 0.074 Uiso 1 1 calc R G 1
H16B H 0.3389 0.0566 0.8045 0.074 Uiso 1 1 calc R G 1
H16C H 0.3901 -0.0602 0.7870 0.074 Uiso 1 1 calc R G 1
C20 C 0.6519(3) 0.4598(4) 0.0220(2) 0.0327(10) Uani 1 1 d . E 1
H20A H 0.6458 0.3827 0.0065 0.049 Uiso 1 1 calc R E 1
H20B H 0.7268 0.4792 0.0310 0.049 Uiso 1 1 calc R E 1
H20C H 0.6189 0.5101 -0.0110 0.049 Uiso 1 1 calc R E 1
C21 C 0.5486(4) 0.3718(4) 0.1034(2) 0.0415(12) Uani 1 1 d . E 1
H21A H 0.5594 0.3092 0.0745 0.062 Uiso 1 1 calc R E 1
H21B H 0.4725 0.3853 0.1045 0.062 Uiso 1 1 calc R E 1
H21C H 0.5800 0.3539 0.1467 0.062 Uiso 1 1 calc R E 1
C22 C 0.5948(3) 0.5677(4) 0.1107(2) 0.0278(9) Uani 1 1 d . E 1
H22 H 0.6295 0.6291 0.0930 0.033 Uiso 1 1 calc R E 1
C9' C 0.5900(12) 0.0513(13) 0.9194(7) 0.027(4) Uiso 0.257(5) 1 d P G 2
C11' C 0.6134(13) -0.0159(14) 0.8109(8) 0.033(4) Uiso 0.257(5) 1 d P G 2
C13' C 0.5658(14) 0.1799(15) 0.8255(8) 0.037(4) Uiso 0.257(5) 1 d P G 2
C15' C 0.4322(13) 0.0332(14) 0.8411(8) 0.033(4) Uiso 0.257(5) 1 d P G 2
 
 
_geom_special_details
;
 All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell s.u.'s are taken
 into account individually in the estimation of s.u.'s in distances, angles
 and torsion angles; correlations between s.u.'s in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell s.u.'s is used for estimating s.u.'s 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
Mo1 O8 1.703(3) . ?
Mo1 O9 1.703(3) . ?
Mo1 O3 1.910(2) . ?
Mo1 O10 1.928(2) . ?
Mo1 O6 2.265(2) . ?
Mo1 O7 2.473(2) . ?
Mo2 O5 1.692(2) . ?
Mo2 O6 1.748(2) 3_757 ?
Mo2 O4 1.937(2) 3_757 ?
Mo2 O13 1.943(2) . ?
Mo2 O7 2.134(2) . ?
Mo2 O7 2.392(2) 3_757 ?
Mo2 Mo3 3.2028(5) . ?
Mo2 Mo4 3.2085(4) 3_757 ?
Mo3 O1 1.699(2) . ?
Mo3 O2 1.701(2) . ?
Mo3 O3 1.903(2) . ?
Mo3 O13 1.993(2) . ?
Mo3 O7 2.318(2) . ?
Mo3 O4 2.359(2) . ?
Mo4 O11 1.699(3) . ?
Mo4 O12 1.700(2) . ?
Mo4 O10 1.899(2) 3_757 ?
Mo4 O4 1.997(2) . ?
Mo4 O7 2.325(2) 3_757 ?
Mo4 O13 2.354(2) . ?
Mo4 Mo2 3.2085(4) 3_757 ?
O4 Mo2 1.937(2) 3_757 ?
O6 Mo2 1.748(2) 3_757 ?
O7 Mo4 2.325(2) 3_757 ?
O7 Mo2 2.392(2) 3_757 ?
O10 Mo4 1.899(2) 3_757 ?
O14 C22 1.224(5) . ?
N1 C7 1.510(4) . ?
N1 C5 1.512(5) . ?
N1 C3 1.516(4) . ?
N1 C1 1.525(4) . ?
N2 C15 1.499(5) . ?
N2 C11 1.514(6) . ?
N2 C13 1.517(6) . ?
N2 C9 1.524(6) . ?
N3 C22 1.329(5) . ?
N3 C21 1.448(5) . ?
N3 C20 1.453(5) . ?
C1 C2 1.514(5) . ?
C3 C4 1.513(6) . ?
C5 C6 1.520(6) . ?
C7 C8 1.525(5) . ?
C9 C10 1.496(6) . ?
C11 C12 1.515(7) . ?
C13 C14 1.483(7) . ?
C15 C16 1.474(7) . ?
 
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
O8 Mo1 O9 104.30(13) . . ?
O8 Mo1 O3 99.43(11) . . ?
O9 Mo1 O3 102.68(11) . . ?
O8 Mo1 O10 96.65(11) . . ?
O9 Mo1 O10 103.40(11) . . ?
O3 Mo1 O10 144.75(10) . . ?
O8 Mo1 O6 166.11(11) . . ?
O9 Mo1 O6 89.45(11) . . ?
O3 Mo1 O6 79.02(9) . . ?
O10 Mo1 O6 77.94(9) . . ?
O8 Mo1 O7 96.52(11) . . ?
O9 Mo1 O7 159.17(11) . . ?
O3 Mo1 O7 73.30(9) . . ?
O10 Mo1 O7 73.86(9) . . ?
O6 Mo1 O7 69.74(8) . . ?
O5 Mo2 O6 103.69(11) . 3_757 ?
O5 Mo2 O4 102.24(11) . 3_757 ?
O6 Mo2 O4 96.10(10) 3_757 3_757 ?
O5 Mo2 O13 101.57(11) . . ?
O6 Mo2 O13 96.57(10) 3_757 . ?
O4 Mo2 O13 149.46(9) 3_757 . ?
O5 Mo2 O7 99.95(11) . . ?
O6 Mo2 O7 156.36(10) 3_757 . ?
O4 Mo2 O7 78.65(9) 3_757 . ?
O13 Mo2 O7 78.63(9) . . ?
O5 Mo2 O7 176.02(10) . 3_757 ?
O6 Mo2 O7 80.28(9) 3_757 3_757 ?
O4 Mo2 O7 77.15(9) 3_757 3_757 ?
O13 Mo2 O7 77.77(9) . 3_757 ?
O7 Mo2 O7 76.08(9) . 3_757 ?
O5 Mo2 Mo3 90.74(9) . . ?
O6 Mo2 Mo3 132.63(8) 3_757 . ?
O4 Mo2 Mo3 124.94(7) 3_757 . ?
O13 Mo2 Mo3 36.06(7) . . ?
O7 Mo2 Mo3 46.32(6) . . ?
O7 Mo2 Mo3 86.47(6) 3_757 . ?
O5 Mo2 Mo4 91.22(8) . 3_757 ?
O6 Mo2 Mo4 132.08(8) 3_757 3_757 ?
O4 Mo2 Mo4 35.99(7) 3_757 3_757 ?
O13 Mo2 Mo4 125.01(7) . 3_757 ?
O7 Mo2 Mo4 46.41(6) . 3_757 ?
O7 Mo2 Mo4 86.03(5) 3_757 3_757 ?
Mo3 Mo2 Mo4 91.502(11) . 3_757 ?
O1 Mo3 O2 104.81(12) . . ?
O1 Mo3 O3 100.12(11) . . ?
O2 Mo3 O3 102.03(11) . . ?
O1 Mo3 O13 101.11(11) . . ?
O2 Mo3 O13 97.43(11) . . ?
O3 Mo3 O13 146.33(10) . . ?
O1 Mo3 O7 158.33(10) . . ?
O2 Mo3 O7 96.74(10) . . ?
O3 Mo3 O7 77.28(9) . . ?
O13 Mo3 O7 73.34(9) . . ?
O1 Mo3 O4 87.15(10) . . ?
O2 Mo3 O4 165.07(11) . . ?
O3 Mo3 O4 84.24(9) . . ?
O13 Mo3 O4 71.07(9) . . ?
O7 Mo3 O4 71.20(8) . . ?
O1 Mo3 Mo2 136.11(8) . . ?
O2 Mo3 Mo2 86.68(9) . . ?
O3 Mo3 Mo2 119.02(7) . . ?
O13 Mo3 Mo2 35.01(6) . . ?
O7 Mo3 Mo2 41.76(6) . . ?
O4 Mo3 Mo2 78.45(6) . . ?
O11 Mo4 O12 104.17(13) . . ?
O11 Mo4 O10 102.14(12) . 3_757 ?
O12 Mo4 O10 101.69(11) . 3_757 ?
O11 Mo4 O4 97.77(11) . . ?
O12 Mo4 O4 100.02(11) . . ?
O10 Mo4 O4 145.78(10) 3_757 . ?
O11 Mo4 O7 94.11(10) . 3_757 ?
O12 Mo4 O7 161.25(11) . 3_757 ?
O10 Mo4 O7 78.03(9) 3_757 3_757 ?
O4 Mo4 O7 73.00(9) . 3_757 ?
O11 Mo4 O13 163.90(10) . . ?
O12 Mo4 O13 89.53(10) . . ?
O10 Mo4 O13 82.90(9) 3_757 . ?
O4 Mo4 O13 71.12(8) . . ?
O7 Mo4 O13 71.78(8) 3_757 . ?
O11 Mo4 Mo2 85.48(8) . 3_757 ?
O12 Mo4 Mo2 134.66(8) . 3_757 ?
O10 Mo4 Mo2 119.71(7) 3_757 3_757 ?
O4 Mo4 Mo2 34.74(7) . 3_757 ?
O7 Mo4 Mo2 41.67(6) 3_757 3_757 ?
O13 Mo4 Mo2 78.81(5) . 3_757 ?
Mo3 O3 Mo1 118.78(12) . . ?
Mo2 O4 Mo4 109.28(11) 3_757 . ?
Mo2 O4 Mo3 111.10(10) 3_757 . ?
Mo4 O4 Mo3 104.14(9) . . ?
Mo2 O6 Mo1 119.03(11) 3_757 . ?
Mo2 O7 Mo3 91.91(8) . . ?
Mo2 O7 Mo4 91.91(9) . 3_757 ?
Mo3 O7 Mo4 163.09(11) . 3_757 ?
Mo2 O7 Mo2 103.92(9) . 3_757 ?
Mo3 O7 Mo2 97.85(8) . 3_757 ?
Mo4 O7 Mo2 97.20(8) 3_757 3_757 ?
Mo2 O7 Mo1 165.13(11) . . ?
Mo3 O7 Mo1 86.41(8) . . ?
Mo4 O7 Mo1 85.67(7) 3_757 . ?
Mo2 O7 Mo1 90.94(8) 3_757 . ?
Mo4 O10 Mo1 117.08(12) 3_757 . ?
Mo2 O13 Mo3 108.94(10) . . ?
Mo2 O13 Mo4 110.55(10) . . ?
Mo3 O13 Mo4 104.47(10) . . ?
C7 N1 C5 111.0(3) . . ?
C7 N1 C3 111.0(3) . . ?
C5 N1 C3 107.2(3) . . ?
C7 N1 C1 105.8(3) . . ?
C5 N1 C1 111.0(3) . . ?
C3 N1 C1 111.0(3) . . ?
C15 N2 C11 111.8(4) . . ?
C15 N2 C13 109.9(4) . . ?
C11 N2 C13 108.0(3) . . ?
C15 N2 C9 108.2(3) . . ?
C11 N2 C9 108.6(3) . . ?
C13 N2 C9 110.2(3) . . ?
C22 N3 C21 121.6(3) . . ?
C22 N3 C20 121.3(3) . . ?
C21 N3 C20 117.1(3) . . ?
C2 C1 N1 115.5(3) . . ?
C4 C3 N1 114.5(3) . . ?
N1 C5 C6 114.2(3) . . ?
N1 C7 C8 115.9(3) . . ?
C10 C9 N2 114.8(4) . . ?
N2 C11 C12 115.3(4) . . ?
C14 C13 N2 117.0(4) . . ?
C16 C15 N2 117.9(4) . . ?
O14 C22 N3 125.8(4) . . ?
 
_diffrn_measured_fraction_theta_max    0.996
_diffrn_reflns_theta_full              26.00
_diffrn_measured_fraction_theta_full   0.996
_refine_diff_density_max    0.68
_refine_diff_density_min   -0.96
_refine_diff_density_rms    0.12
