data_global
_journal_name_full               CrystEngComm

_journal_coden_Cambridge         1350
_publ_contact_author_name        'Enbo Wang'
_publ_contact_author_address     
;
JiLin
China
130024
;

_publ_contact_author_email       wangenbo@public.cc.jl.cn
loop_
_publ_author_name
'Enbo Wang.'
'Hua-Qiao Tan.'

# Attachment '- revised cif of 1b.CIF'

data_1b
_database_code_depnum_ccdc_archive 'CCDC 749908'
#TrackingRef '- revised cif of 1b.CIF'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C8 H62 Mo6 N8 O40 P4'
_chemical_formula_weight         1610.18

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
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'
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'
N N 0.0061 0.0033 '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'

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   P2(1)2(1)2

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, -z'

_cell_length_a                   14.626(3)
_cell_length_b                   17.129(3)
_cell_length_c                   9.6840(19)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     2426.2(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    5552
_cell_measurement_theta_min      3.03
_cell_measurement_theta_max      27.46

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.19
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.204
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1596
_exptl_absorpt_coefficient_mu    1.750
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.630
_exptl_absorpt_correction_T_max  0.717
_exptl_absorpt_process_details   'ABSCOR by T.Higashi 8 March, 1995'

_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  'Rigaku R-AXIS RAPID IP'
_diffrn_measurement_method       Oscillation
_diffrn_detector_area_resol_mean 0.01
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        none
_diffrn_reflns_number            23743
_diffrn_reflns_av_R_equivalents  0.0745
_diffrn_reflns_av_sigmaI/netI    0.0632
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         3.03
_diffrn_reflns_theta_max         27.46
_reflns_number_total             5552
_reflns_number_gt                4908
_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 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^)+(0.0699P)^2^+5.4064P] 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     SHELXL
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.02(6)
_refine_ls_number_reflns         5552
_refine_ls_number_parameters     324
_refine_ls_number_restraints     19
_refine_ls_R_factor_all          0.0555
_refine_ls_R_factor_gt           0.0459
_refine_ls_wR_factor_ref         0.1175
_refine_ls_wR_factor_gt          0.1117
_refine_ls_goodness_of_fit_ref   0.996
_refine_ls_restrained_S_all      1.000
_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
Mo1 Mo 0.38297(4) 0.90927(3) -0.39667(6) 0.01613(14) Uani 1 1 d . . .
Mo2 Mo 0.43177(4) 0.95297(3) -0.01551(6) 0.01155(13) Uani 1 1 d . . .
Mo3 Mo 0.20842(5) 0.79598(4) -0.38671(8) 0.02556(17) Uani 1 1 d . . .
P2 P 0.34584(12) 0.78058(10) -0.1195(2) 0.0149(3) Uani 1 1 d . . .
P1 P 0.21918(12) 0.92025(10) -0.1321(2) 0.0159(4) Uani 1 1 d . . .
O15 O 0.4384(3) 1.0653(3) -0.0387(5) 0.0141(10) Uani 1 1 d . . .
O14 O 0.4162(3) 0.9432(3) 0.1571(5) 0.0170(10) Uani 1 1 d . . .
O13 O 0.1234(3) 0.9483(3) -0.1076(6) 0.0238(11) Uani 1 1 d . . .
O12 O 0.4134(3) 0.8305(3) -0.0376(5) 0.0165(10) Uani 1 1 d . . .
O11 O 0.4247(3) 0.9430(3) -0.2363(5) 0.0171(10) Uani 1 1 d . . .
O10 O 0.3560(4) 0.6961(3) -0.0869(6) 0.0234(12) Uani 1 1 d . . .
O9 O 0.1749(4) 0.7785(3) -0.1918(6) 0.0196(11) Uani 1 1 d . . .
O8 O 0.4785(4) 0.8667(3) -0.4702(6) 0.0232(12) Uani 1 1 d . . .
O7 O 0.3514(4) 0.7941(3) -0.2782(6) 0.0187(11) Uani 1 1 d . . .
O6 O 0.3658(4) 0.9943(3) -0.4883(6) 0.0258(12) Uani 1 1 d . . .
O5 O 0.2410(3) 0.9185(3) -0.2888(6) 0.0198(11) Uani 1 1 d . . .
O4 O 0.2902(3) 0.9677(3) -0.0501(5) 0.0176(11) Uani 1 1 d . . .
O3 O 0.2906(4) 0.8460(3) -0.5053(6) 0.0267(12) Uani 1 1 d . . .
O2 O 0.2160(5) 0.7007(4) -0.4403(7) 0.0414(17) Uani 1 1 d . . .
C4 C 0.2307(5) 0.8163(4) -0.0873(8) 0.0150(14) Uani 1 1 d . . .
C3 C 0.1273(6) 0.7089(5) 0.2326(8) 0.0229(16) Uani 1 1 d . . .
H3A H 0.1476 0.7441 0.3048 0.027 Uiso 1 1 calc R . .
H3B H 0.0651 0.7228 0.2084 0.027 Uiso 1 1 calc R . .
C2 C 0.1883(5) 0.7184(4) 0.1068(8) 0.0221(15) Uani 1 1 d . . .
H2A H 0.2499 0.7018 0.1295 0.026 Uiso 1 1 calc R . .
H2B H 0.1660 0.6855 0.0327 0.026 Uiso 1 1 calc R . .
O1 O 0.1045(4) 0.8249(5) -0.4484(7) 0.0425(18) Uani 1 1 d . . .
C1 C 0.1903(5) 0.8020(4) 0.0589(8) 0.0218(16) Uani 1 1 d . . .
H1A H 0.2255 0.8322 0.1248 0.026 Uiso 1 1 calc R . .
H1B H 0.1283 0.8220 0.0604 0.026 Uiso 1 1 calc R . .
N1 N 0.1290(5) 0.6292(4) 0.2843(7) 0.0219(14) Uani 1 1 d . . .
H1C H 0.0929 0.6254 0.3579 0.033 Uiso 1 1 calc R . .
H1D H 0.1859 0.6165 0.3078 0.033 Uiso 1 1 calc R . .
H1E H 0.1093 0.5969 0.2188 0.033 Uiso 1 1 calc R . .
N4 N 0.2569(4) 0.5698(4) -0.1597(7) 0.0197(14) Uani 1 1 d D . .
H4D H 0.305(3) 0.608(3) -0.145(7) 0.030 Uiso 1 1 d D . .
H4C H 0.248(4) 0.541(3) -0.075(4) 0.030 Uiso 1 1 d D . .
H4B H 0.272(4) 0.536(3) -0.233(5) 0.030 Uiso 1 1 d D . .
H4A H 0.201(3) 0.598(3) -0.180(7) 0.030 Uiso 1 1 d D . .
O7W O 0.4103(5) 1.0973(4) -0.7054(7) 0.0407(16) Uani 1 1 d D . .
H7B H 0.435(6) 1.134(4) -0.660(10) 0.049 Uiso 1 1 d D . .
H7A H 0.357(3) 1.108(6) -0.733(11) 0.049 Uiso 1 1 d D . .
O6W O 0.3101(6) 0.5821(5) 0.3693(10) 0.063(2) Uani 1 1 d D . .
H6B H 0.356(5) 0.550(6) 0.376(14) 0.075 Uiso 1 1 d D . .
H6A H 0.267(6) 0.565(7) 0.423(12) 0.075 Uiso 1 1 d D . .
O5W O 0.1820(7) 0.9690(7) -0.6405(14) 0.090(4) Uani 1 1 d D . .
H5A H 0.154(8) 0.925(4) -0.65(2) 0.108 Uiso 1 1 d D . .
H5B H 0.240(2) 0.960(8) -0.63(2) 0.108 Uiso 1 1 d D . .
O4W O 0.4969(12) 0.7489(10) 0.1642(18) 0.058(4) Uiso 0.50 1 d P A 1
O4WA O 0.4150(11) 0.7816(10) 0.2676(17) 0.052(4) Uiso 0.50 1 d P B 2
N3 N 0.4216(9) 0.6740(7) -0.4502(14) 0.022(3) Uiso 0.50 1 d P C 1
N3A N 0.4108(14) 0.7115(12) -0.589(2) 0.058(5) Uiso 0.50 1 d P D 2
O2W O 0.0438(11) 0.9413(9) -0.5549(17) 0.053(4) Uiso 0.50 1 d P E 1
O2WA O -0.0001(10) 0.9487(9) -0.6818(16) 0.048(4) Uiso 0.50 1 d P F 2
N2 N 0.4525(9) 0.6327(8) 0.1530(14) 0.024(3) Uiso 0.50 1 d P G 1
N2A N 0.4672(11) 0.5711(9) -0.0312(17) 0.035(3) Uiso 0.50 1 d P H 2

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
Mo1 0.0181(3) 0.0175(3) 0.0127(3) -0.0001(2) 0.0011(2) -0.0073(2)
Mo2 0.0110(2) 0.0113(2) 0.0124(3) -0.0002(2) 0.0000(2) 0.0002(2)
Mo3 0.0290(4) 0.0299(3) 0.0178(3) -0.0031(3) 0.0004(3) -0.0175(3)
P2 0.0169(8) 0.0114(8) 0.0165(9) 0.0001(7) 0.0031(7) -0.0022(7)
P1 0.0127(8) 0.0155(8) 0.0194(9) 0.0004(7) -0.0020(7) -0.0010(7)
O15 0.008(2) 0.014(2) 0.020(3) -0.0012(18) -0.0025(19) 0.0023(19)
O14 0.015(2) 0.021(3) 0.016(2) -0.0017(19) -0.0018(18) 0.000(2)
O13 0.017(2) 0.022(2) 0.033(3) 0.001(3) -0.005(2) 0.001(2)
O12 0.019(3) 0.012(2) 0.018(3) 0.0029(19) -0.001(2) -0.0011(19)
O11 0.022(2) 0.015(2) 0.015(2) -0.0042(18) 0.003(2) -0.008(2)
O10 0.029(3) 0.011(2) 0.030(3) 0.001(2) 0.004(2) 0.000(2)
O9 0.022(3) 0.018(3) 0.018(3) -0.002(2) 0.003(2) -0.011(2)
O8 0.024(3) 0.027(3) 0.019(3) -0.004(2) 0.002(2) -0.005(2)
O7 0.022(3) 0.017(2) 0.017(3) -0.002(2) 0.006(2) -0.003(2)
O6 0.034(3) 0.025(3) 0.019(3) 0.008(2) -0.004(2) -0.006(2)
O5 0.020(2) 0.022(3) 0.018(3) 0.002(2) -0.005(2) -0.005(2)
O4 0.015(2) 0.014(2) 0.024(3) -0.0042(19) -0.002(2) 0.003(2)
O3 0.033(3) 0.031(3) 0.017(3) 0.001(2) -0.005(3) -0.015(3)
O2 0.059(4) 0.032(3) 0.033(4) -0.009(3) 0.018(3) -0.027(3)
C4 0.013(3) 0.016(3) 0.016(4) -0.005(3) -0.001(3) -0.003(3)
C3 0.024(4) 0.029(4) 0.015(4) 0.001(3) 0.002(3) -0.008(3)
C2 0.030(4) 0.021(3) 0.015(3) 0.003(3) 0.008(3) -0.004(3)
O1 0.032(3) 0.072(5) 0.024(3) 0.007(3) -0.009(3) -0.030(4)
C1 0.024(4) 0.016(3) 0.026(4) 0.002(3) 0.008(3) -0.002(3)
N1 0.023(3) 0.030(3) 0.013(3) 0.001(3) -0.003(3) -0.009(3)
N4 0.013(3) 0.015(3) 0.031(4) 0.010(2) -0.009(3) -0.009(2)
O7W 0.040(4) 0.047(4) 0.035(4) -0.011(3) -0.006(3) -0.004(3)
O6W 0.054(5) 0.070(6) 0.063(6) -0.007(5) -0.014(4) -0.008(5)
O5W 0.060(6) 0.121(10) 0.089(8) 0.045(8) -0.007(6) 0.013(6)

_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
Mo1 O6 1.724(5) . ?
Mo1 O8 1.730(6) . ?
Mo1 O11 1.766(5) . ?
Mo1 O3 2.026(5) . ?
Mo1 O7 2.329(5) . ?
Mo1 O5 2.330(5) . ?
Mo1 Mo3 3.2083(10) . ?
Mo2 O14 1.695(5) . ?
Mo2 O15 1.938(5) 2_675 ?
Mo2 O15 1.939(5) . ?
Mo2 O4 2.113(5) . ?
Mo2 O12 2.126(5) . ?
Mo2 O11 2.147(5) . ?
Mo2 Mo2 2.5651(12) 2_675 ?
Mo3 O1 1.707(7) . ?
Mo3 O2 1.716(6) . ?
Mo3 O3 1.871(6) . ?
Mo3 O9 1.973(5) . ?
Mo3 O7 2.341(6) . ?
Mo3 O5 2.351(5) . ?
P2 O10 1.488(5) . ?
P2 O12 1.529(5) . ?
P2 O7 1.556(6) . ?
P2 C4 1.819(7) . ?
P1 O13 1.500(5) . ?
P1 O4 1.539(5) . ?
P1 O5 1.551(6) . ?
P1 C4 1.841(7) . ?
O15 Mo2 1.938(5) 2_675 ?
O9 C4 1.452(8) . ?
C4 C1 1.553(10) . ?
C3 N1 1.454(10) . ?
C3 C2 1.519(10) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C2 C1 1.504(10) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
N1 H1C 0.8900 . ?
N1 H1D 0.8900 . ?
N1 H1E 0.8900 . ?
N4 H4D 0.962(18) . ?
N4 H4C 0.962(18) . ?
N4 H4B 0.943(17) . ?
N4 H4A 0.962(18) . ?
O7W H7B 0.85(2) . ?
O7W H7A 0.84(2) . ?
O6W H6B 0.87(2) . ?
O6W H6A 0.86(2) . ?
O5W H5A 0.85(2) . ?
O5W H5B 0.86(2) . ?

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
O6 Mo1 O8 105.2(3) . . ?
O6 Mo1 O11 103.1(3) . . ?
O8 Mo1 O11 102.8(3) . . ?
O6 Mo1 O3 95.0(2) . . ?
O8 Mo1 O3 95.7(3) . . ?
O11 Mo1 O3 149.5(2) . . ?
O6 Mo1 O7 160.2(2) . . ?
O8 Mo1 O7 90.3(2) . . ?
O11 Mo1 O7 85.0(2) . . ?
O3 Mo1 O7 70.8(2) . . ?
O6 Mo1 O5 92.5(2) . . ?
O8 Mo1 O5 158.9(2) . . ?
O11 Mo1 O5 83.8(2) . . ?
O3 Mo1 O5 71.0(2) . . ?
O7 Mo1 O5 70.10(19) . . ?
O6 Mo1 Mo3 114.26(19) . . ?
O8 Mo1 Mo3 113.57(18) . . ?
O11 Mo1 Mo3 116.51(16) . . ?
O3 Mo1 Mo3 33.04(16) . . ?
O7 Mo1 Mo3 46.76(14) . . ?
O5 Mo1 Mo3 47.01(13) . . ?
O14 Mo2 O15 103.3(2) . 2_675 ?
O14 Mo2 O15 102.6(2) . . ?
O15 Mo2 O15 95.59(18) 2_675 . ?
O14 Mo2 O4 92.1(2) . . ?
O15 Mo2 O4 164.0(2) 2_675 . ?
O15 Mo2 O4 84.96(19) . . ?
O14 Mo2 O12 89.1(2) . . ?
O15 Mo2 O12 87.32(19) 2_675 . ?
O15 Mo2 O12 166.8(2) . . ?
O4 Mo2 O12 88.74(19) . . ?
O14 Mo2 O11 165.3(2) . . ?
O15 Mo2 O11 85.4(2) 2_675 . ?
O15 Mo2 O11 88.0(2) . . ?
O4 Mo2 O11 78.7(2) . . ?
O12 Mo2 O11 79.36(19) . . ?
O14 Mo2 Mo2 99.58(16) . 2_675 ?
O15 Mo2 Mo2 48.60(14) 2_675 2_675 ?
O15 Mo2 Mo2 48.55(13) . 2_675 ?
O4 Mo2 Mo2 133.44(14) . 2_675 ?
O12 Mo2 Mo2 135.91(14) . 2_675 ?
O11 Mo2 Mo2 95.02(13) . 2_675 ?
O1 Mo3 O2 103.2(4) . . ?
O1 Mo3 O3 103.0(3) . . ?
O2 Mo3 O3 102.0(3) . . ?
O1 Mo3 O9 99.0(3) . . ?
O2 Mo3 O9 99.3(3) . . ?
O3 Mo3 O9 144.8(2) . . ?
O1 Mo3 O7 163.1(3) . . ?
O2 Mo3 O7 93.7(3) . . ?
O3 Mo3 O7 73.0(2) . . ?
O9 Mo3 O7 77.9(2) . . ?
O1 Mo3 O5 93.6(3) . . ?
O2 Mo3 O5 163.3(3) . . ?
O3 Mo3 O5 73.1(2) . . ?
O9 Mo3 O5 78.5(2) . . ?
O7 Mo3 O5 69.54(18) . . ?
O1 Mo3 Mo1 121.5(2) . . ?
O2 Mo3 Mo1 121.0(2) . . ?
O3 Mo3 Mo1 36.19(17) . . ?
O9 Mo3 Mo1 108.57(15) . . ?
O7 Mo3 Mo1 46.45(13) . . ?
O5 Mo3 Mo1 46.46(13) . . ?
O10 P2 O12 111.7(3) . . ?
O10 P2 O7 110.4(3) . . ?
O12 P2 O7 113.3(3) . . ?
O10 P2 C4 112.5(3) . . ?
O12 P2 C4 108.8(3) . . ?
O7 P2 C4 99.7(3) . . ?
O13 P1 O4 112.3(3) . . ?
O13 P1 O5 110.7(3) . . ?
O4 P1 O5 112.1(3) . . ?
O13 P1 C4 110.9(3) . . ?
O4 P1 C4 109.1(3) . . ?
O5 P1 C4 101.1(3) . . ?
Mo2 O15 Mo2 82.86(17) 2_675 . ?
P2 O12 Mo2 133.3(3) . . ?
Mo1 O11 Mo2 156.7(3) . . ?
C4 O9 Mo3 117.3(4) . . ?
P2 O7 Mo1 128.5(3) . . ?
P2 O7 Mo3 113.5(3) . . ?
Mo1 O7 Mo3 86.79(19) . . ?
P1 O5 Mo1 128.5(3) . . ?
P1 O5 Mo3 111.7(3) . . ?
Mo1 O5 Mo3 86.53(19) . . ?
P1 O4 Mo2 132.8(3) . . ?
Mo3 O3 Mo1 110.8(3) . . ?
O9 C4 C1 110.6(5) . . ?
O9 C4 P2 104.6(4) . . ?
C1 C4 P2 117.1(5) . . ?
O9 C4 P1 102.4(5) . . ?
C1 C4 P1 109.4(5) . . ?
P2 C4 P1 111.7(4) . . ?
N1 C3 C2 111.5(7) . . ?
N1 C3 H3A 109.3 . . ?
C2 C3 H3A 109.3 . . ?
N1 C3 H3B 109.3 . . ?
C2 C3 H3B 109.3 . . ?
H3A C3 H3B 108.0 . . ?
C1 C2 C3 111.2(7) . . ?
C1 C2 H2A 109.4 . . ?
C3 C2 H2A 109.4 . . ?
C1 C2 H2B 109.4 . . ?
C3 C2 H2B 109.4 . . ?
H2A C2 H2B 108.0 . . ?
C2 C1 C4 116.0(6) . . ?
C2 C1 H1A 108.3 . . ?
C4 C1 H1A 108.3 . . ?
C2 C1 H1B 108.3 . . ?
C4 C1 H1B 108.3 . . ?
H1A C1 H1B 107.4 . . ?
C3 N1 H1C 109.5 . . ?
C3 N1 H1D 109.5 . . ?
H1C N1 H1D 109.5 . . ?
C3 N1 H1E 109.5 . . ?
H1C N1 H1E 109.5 . . ?
H1D N1 H1E 109.5 . . ?
H4D N4 H4C 108(2) . . ?
H4D N4 H4B 111(2) . . ?
H4C N4 H4B 111(2) . . ?
H4D N4 H4A 108(2) . . ?
H4C N4 H4A 108(2) . . ?
H4B N4 H4A 110(2) . . ?
H7B O7W H7A 113(4) . . ?
H6B O6W H6A 107(3) . . ?
H5A O5W H5B 109(4) . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        27.46
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         2.003
_refine_diff_density_min         -0.789
_refine_diff_density_rms         0.170


data_1
_database_code_depnum_ccdc_archive 'CCDC 749910'
#TrackingRef '- revised cif of 1a.CIF'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C8 H62 Mo6 N8 O40 P4'
_chemical_formula_weight         1610.18

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
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'
N N 0.0061 0.0033 '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'
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'

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   P2(1)2(1)2

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, -z'

_cell_length_a                   14.615(3)
_cell_length_b                   17.148(3)
_cell_length_c                   9.6756(19)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     2425.0(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    5481
_cell_measurement_theta_min      3.03
_cell_measurement_theta_max      27.48

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.18
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.205
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1596
_exptl_absorpt_coefficient_mu    1.751
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.652
_exptl_absorpt_correction_T_max  0.730
_exptl_absorpt_process_details   'ABSCOR by T.Higashi 8 March, 1995'

_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  'Rigaku R-AXIS RAPID IP'
_diffrn_measurement_method       Oscillation
_diffrn_detector_area_resol_mean 0.01
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        none
_diffrn_reflns_number            21895
_diffrn_reflns_av_R_equivalents  0.0458
_diffrn_reflns_av_sigmaI/netI    0.0470
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         3.03
_diffrn_reflns_theta_max         27.48
_reflns_number_total             5481
_reflns_number_gt                5179
_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 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^)+(0.0692P)^2^+5.9229P] 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     SHELXL
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00(5)
_refine_ls_number_reflns         5481
_refine_ls_number_parameters     324
_refine_ls_number_restraints     19
_refine_ls_R_factor_all          0.0424
_refine_ls_R_factor_gt           0.0396
_refine_ls_wR_factor_ref         0.1066
_refine_ls_wR_factor_gt          0.1046
_refine_ls_goodness_of_fit_ref   0.999
_refine_ls_restrained_S_all      1.004
_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
Mo1 Mo 0.11711(3) 0.09073(3) 0.89664(6) 0.01632(12) Uani 1 1 d . . .
Mo2 Mo 0.06819(3) 0.04707(3) 0.51538(5) 0.01207(11) Uani 1 1 d . . .
Mo3 Mo 0.29144(4) 0.20401(3) 0.88679(7) 0.02615(15) Uani 1 1 d . . .
P1 P 0.28061(9) 0.07990(8) 0.63180(17) 0.0160(3) Uani 1 1 d . . .
P2 P 0.15378(10) 0.21946(8) 0.61931(18) 0.0159(3) Uani 1 1 d . . .
O1 O 0.0751(3) 0.0566(2) 0.7356(4) 0.0170(8) Uani 1 1 d . . .
O15 O 0.0616(3) -0.0647(2) 0.5388(4) 0.0142(8) Uani 1 1 d . . .
O14 O 0.0841(3) 0.0571(2) 0.3426(4) 0.0169(8) Uani 1 1 d . . .
O13 O 0.3763(3) 0.0523(3) 0.6066(6) 0.0256(9) Uani 1 1 d . . .
O12 O 0.0866(3) 0.1698(2) 0.5377(5) 0.0184(9) Uani 1 1 d . . .
O11 O 0.1341(3) 0.0058(3) 0.9880(5) 0.0252(10) Uani 1 1 d . . .
O10 O 0.1432(3) 0.3038(2) 0.5852(5) 0.0235(10) Uani 1 1 d . . .
O9 O 0.2093(3) 0.1542(3) 1.0058(5) 0.0261(10) Uani 1 1 d . . .
O8 O 0.1482(3) 0.2056(2) 0.7783(5) 0.0191(9) Uani 1 1 d . . .
O7 O 0.3248(3) 0.2219(3) 0.6905(5) 0.0193(9) Uani 1 1 d . . .
O6 O 0.0218(3) 0.1333(3) 0.9711(5) 0.0247(10) Uani 1 1 d . . .
O5 O 0.2588(3) 0.0817(3) 0.7892(5) 0.0188(9) Uani 1 1 d . . .
O4 O 0.2843(4) 0.2990(3) 0.9405(5) 0.0397(14) Uani 1 1 d . . .
O3 O 0.2101(3) 0.0326(2) 0.5505(5) 0.0180(9) Uani 1 1 d . . .
O2 O 0.3956(4) 0.1747(4) 0.9482(6) 0.0434(15) Uani 1 1 d . . .
C3 C 0.3101(4) 0.2813(3) 0.3929(7) 0.0211(12) Uani 1 1 d . . .
H3A H 0.3306 0.3151 0.4671 0.025 Uiso 1 1 calc R . .
H3B H 0.2485 0.2968 0.3677 0.025 Uiso 1 1 calc R . .
C2 C 0.3096(4) 0.1985(4) 0.4419(7) 0.0213(13) Uani 1 1 d . . .
H2A H 0.3721 0.1795 0.4408 0.026 Uiso 1 1 calc R . .
H2B H 0.2752 0.1677 0.3758 0.026 Uiso 1 1 calc R . .
C1 C 0.2698(4) 0.1835(3) 0.5860(7) 0.0169(12) Uani 1 1 d . . .
N1 N 0.3701(4) 0.3708(3) 0.2156(6) 0.0239(12) Uani 1 1 d . . .
H1A H 0.4073 0.3749 0.1431 0.029 Uiso 1 1 calc R . .
H1B H 0.3880 0.4037 0.2814 0.029 Uiso 1 1 calc R . .
H1C H 0.3132 0.3824 0.1900 0.029 Uiso 1 1 calc R . .
C4 C 0.3729(4) 0.2906(4) 0.2690(7) 0.0219(12) Uani 1 1 d . . .
H4A H 0.4351 0.2778 0.2957 0.026 Uiso 1 1 calc R . .
H4B H 0.3544 0.2547 0.1968 0.026 Uiso 1 1 calc R . .
N2 N 0.2431(3) 0.4300(3) 0.6601(6) 0.0221(12) Uani 1 1 d D . .
H2F H 0.193(3) 0.395(3) 0.666(6) 0.033 Uiso 1 1 d D . .
H2E H 0.299(2) 0.401(3) 0.682(6) 0.033 Uiso 1 1 d D . .
H2D H 0.250(4) 0.449(3) 0.567(3) 0.033 Uiso 1 1 d D . .
H2C H 0.238(4) 0.472(2) 0.722(5) 0.033 Uiso 1 1 d D . .
O7W O 0.0905(3) -0.0993(4) 1.2041(6) 0.0370(12) Uani 1 1 d D . .
H7B H 0.135(4) -0.091(5) 1.260(7) 0.044 Uiso 1 1 d D . .
H7A H 0.045(4) -0.071(5) 1.225(9) 0.044 Uiso 1 1 d D . .
O6W O 0.3186(6) 0.0317(7) 1.1408(13) 0.099(4) Uani 1 1 d D . .
H6A H 0.340(8) 0.073(5) 1.101(17) 0.119 Uiso 1 1 d D . .
H6B H 0.259(2) 0.038(8) 1.149(18) 0.119 Uiso 1 1 d D . .
O5W O 0.1902(5) 0.4185(5) 0.1329(10) 0.067(2) Uani 1 1 d D . .
H5A H 0.235(5) 0.431(6) 0.079(11) 0.081 Uiso 1 1 d D . .
H5B H 0.150(5) 0.455(5) 0.126(13) 0.081 Uiso 1 1 d D . .
O4W O 0.0841(9) 0.2188(8) 0.2331(15) 0.048(3) Uiso 0.46 1 d P . 1
O4WA O 0.0027(10) 0.2504(9) 0.3325(16) 0.069(4) Uiso 0.54 1 d P A 2
N3 N 0.0889(10) 0.2871(9) 1.0935(17) 0.038(3) Uiso 0.45 1 d P . 1
N3A N 0.0791(7) 0.3248(6) 0.9490(12) 0.027(2) Uiso 0.55 1 d P B 2
O2W O 0.0481(9) 0.3679(7) 0.3441(14) 0.047(3) Uiso 0.50 1 d P C 1
O2WA O 0.0318(8) 0.4303(7) 0.5329(14) 0.046(3) Uiso 0.50 1 d P D 2
N4 N 0.5000(8) 0.0493(8) 1.1817(14) 0.034(3) Uiso 0.50 1 d P . 1
N4A N 0.4560(10) 0.0588(8) 1.0548(16) 0.042(3) Uiso 0.50 1 d P E 2

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
Mo1 0.0193(2) 0.0181(2) 0.0116(3) 0.00025(19) 0.00086(19) -0.00689(18)
Mo2 0.0121(2) 0.0124(2) 0.0117(2) -0.00011(16) -0.00043(17) -0.00016(15)
Mo3 0.0310(3) 0.0306(3) 0.0169(3) -0.0029(2) 0.0003(2) -0.0181(2)
P1 0.0140(6) 0.0152(6) 0.0189(8) -0.0001(6) -0.0026(6) -0.0018(5)
P2 0.0186(7) 0.0123(6) 0.0169(8) 0.0004(6) 0.0027(6) -0.0016(5)
O1 0.0175(19) 0.018(2) 0.015(2) -0.0038(15) 0.0008(16) -0.0057(16)
O15 0.0108(17) 0.0171(18) 0.015(2) -0.0022(14) -0.0003(15) 0.0019(14)
O14 0.0185(19) 0.019(2) 0.013(2) 0.0010(15) -0.0002(15) -0.0023(15)
O13 0.0186(19) 0.022(2) 0.036(3) -0.003(2) -0.003(2) 0.0013(16)
O12 0.018(2) 0.0124(18) 0.024(2) 0.0010(16) -0.0018(17) -0.0017(14)
O11 0.034(2) 0.024(2) 0.017(2) 0.0058(18) -0.0017(19) -0.0084(17)
O10 0.029(2) 0.0109(19) 0.031(3) -0.0003(17) 0.0070(19) 0.0002(15)
O9 0.032(2) 0.030(2) 0.016(2) -0.0015(19) -0.003(2) -0.0153(18)
O8 0.023(2) 0.015(2) 0.020(2) -0.0007(17) 0.0035(17) -0.0059(15)
O7 0.016(2) 0.024(2) 0.018(2) -0.0005(17) 0.0016(16) -0.0082(16)
O6 0.023(2) 0.030(2) 0.021(3) -0.0056(19) 0.0017(19) -0.0087(17)
O5 0.0152(19) 0.021(2) 0.020(2) 0.0036(17) -0.0029(16) -0.0053(15)
O4 0.063(4) 0.036(3) 0.020(3) -0.008(2) 0.011(2) -0.030(3)
O3 0.0168(19) 0.017(2) 0.020(2) -0.0021(16) -0.0029(16) -0.0005(15)
O2 0.036(3) 0.068(4) 0.026(3) 0.008(3) -0.008(2) -0.026(3)
C3 0.027(3) 0.018(3) 0.019(3) -0.002(2) 0.006(3) -0.002(2)
C2 0.023(3) 0.023(3) 0.018(3) 0.004(2) 0.009(2) -0.002(2)
C1 0.015(3) 0.020(3) 0.015(3) -0.003(2) 0.002(2) -0.005(2)
N1 0.026(3) 0.029(3) 0.017(3) -0.002(2) 0.000(2) -0.011(2)
C4 0.025(3) 0.029(3) 0.012(3) -0.002(2) -0.001(2) -0.007(2)
N2 0.018(2) 0.019(2) 0.029(3) 0.008(2) -0.008(2) -0.0104(18)
O7W 0.029(3) 0.046(3) 0.036(3) -0.006(3) -0.001(2) 0.004(2)
O6W 0.063(5) 0.127(9) 0.108(8) 0.060(7) -0.003(6) 0.017(5)
O5W 0.055(4) 0.069(5) 0.078(6) -0.007(5) -0.012(4) -0.007(4)

_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
Mo1 O11 1.722(4) . ?
Mo1 O6 1.731(5) . ?
Mo1 O1 1.774(4) . ?
Mo1 O9 2.028(4) . ?
Mo1 O5 2.322(4) . ?
Mo1 O8 2.323(4) . ?
Mo1 Mo3 3.2054(8) . ?
Mo2 O14 1.696(4) . ?
Mo2 O15 1.934(4) 2 ?
Mo2 O15 1.933(4) . ?
Mo2 O3 2.117(4) . ?
Mo2 O12 2.132(4) . ?
Mo2 O1 2.140(4) . ?
Mo2 Mo2 2.5650(10) 2 ?
Mo3 O4 1.712(5) . ?
Mo3 O2 1.710(6) . ?
Mo3 O9 1.871(5) . ?
Mo3 O7 1.984(5) . ?
Mo3 O8 2.342(5) . ?
Mo3 O5 2.349(5) . ?
P1 O13 1.497(4) . ?
P1 O3 1.529(4) . ?
P1 O5 1.557(5) . ?
P1 C1 1.839(6) . ?
P2 O10 1.491(4) . ?
P2 O12 1.521(4) . ?
P2 O8 1.559(5) . ?
P2 C1 1.832(6) . ?
O15 Mo2 1.934(4) 2 ?
O7 C1 1.451(7) . ?
C3 C2 1.497(8) . ?
C3 C4 1.519(9) . ?
C2 C1 1.532(8) . ?
N1 C4 1.469(8) . ?
O4W N3 1.79(2) 1_554 ?
N3 O4W 1.79(2) 1_556 ?
N4 N4 1.69(3) 2_655 ?

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
O11 Mo1 O6 105.0(2) . . ?
O11 Mo1 O1 102.8(2) . . ?
O6 Mo1 O1 103.1(2) . . ?
O11 Mo1 O9 95.2(2) . . ?
O6 Mo1 O9 95.3(2) . . ?
O1 Mo1 O9 149.80(19) . . ?
O11 Mo1 O5 92.59(19) . . ?
O6 Mo1 O5 158.83(19) . . ?
O1 Mo1 O5 83.90(17) . . ?
O9 Mo1 O5 71.13(18) . . ?
O11 Mo1 O8 160.42(19) . . ?
O6 Mo1 O8 90.26(19) . . ?
O1 Mo1 O8 85.11(17) . . ?
O9 Mo1 O8 70.85(17) . . ?
O5 Mo1 O8 70.21(16) . . ?
O11 Mo1 Mo3 114.44(15) . . ?
O6 Mo1 Mo3 113.36(15) . . ?
O1 Mo1 Mo3 116.68(13) . . ?
O9 Mo1 Mo3 33.13(13) . . ?
O5 Mo1 Mo3 47.01(11) . . ?
O8 Mo1 Mo3 46.84(11) . . ?
O14 Mo2 O15 103.52(18) . 2 ?
O14 Mo2 O15 102.87(19) . . ?
O15 Mo2 O15 95.32(15) 2 . ?
O14 Mo2 O3 92.05(18) . . ?
O15 Mo2 O3 163.89(18) 2 . ?
O15 Mo2 O3 85.04(15) . . ?
O14 Mo2 O12 88.99(19) . . ?
O15 Mo2 O12 87.57(16) 2 . ?
O15 Mo2 O12 166.71(18) . . ?
O3 Mo2 O12 88.60(15) . . ?
O14 Mo2 O1 165.30(16) . . ?
O15 Mo2 O1 85.27(17) 2 . ?
O15 Mo2 O1 87.78(17) . . ?
O3 Mo2 O1 78.64(16) . . ?
O12 Mo2 O1 79.52(17) . . ?
O14 Mo2 Mo2 99.79(13) . 2 ?
O15 Mo2 Mo2 48.43(11) 2 2 ?
O15 Mo2 Mo2 48.48(11) . 2 ?
O3 Mo2 Mo2 133.46(11) . 2 ?
O12 Mo2 Mo2 136.00(11) . 2 ?
O1 Mo2 Mo2 94.86(10) . 2 ?
O4 Mo3 O2 103.2(3) . . ?
O4 Mo3 O9 102.1(2) . . ?
O2 Mo3 O9 102.9(2) . . ?
O4 Mo3 O7 99.1(2) . . ?
O2 Mo3 O7 99.2(2) . . ?
O9 Mo3 O7 144.84(18) . . ?
O4 Mo3 O8 94.0(2) . . ?
O2 Mo3 O8 162.7(2) . . ?
O9 Mo3 O8 72.98(18) . . ?
O7 Mo3 O8 77.82(16) . . ?
O4 Mo3 O5 163.5(2) . . ?
O2 Mo3 O5 93.3(2) . . ?
O9 Mo3 O5 73.07(18) . . ?
O7 Mo3 O5 78.68(17) . . ?
O8 Mo3 O5 69.43(14) . . ?
O4 Mo3 Mo1 121.3(2) . . ?
O2 Mo3 Mo1 121.3(2) . . ?
O9 Mo3 Mo1 36.33(14) . . ?
O7 Mo3 Mo1 108.52(12) . . ?
O8 Mo3 Mo1 46.36(10) . . ?
O5 Mo3 Mo1 46.31(10) . . ?
O13 P1 O3 112.2(3) . . ?
O13 P1 O5 110.9(3) . . ?
O3 P1 O5 112.1(2) . . ?
O13 P1 C1 110.3(3) . . ?
O3 P1 C1 109.3(3) . . ?
O5 P1 C1 101.5(3) . . ?
O10 P2 O12 111.2(3) . . ?
O10 P2 O8 111.1(3) . . ?
O12 P2 O8 113.2(2) . . ?
O10 P2 C1 112.5(3) . . ?
O12 P2 C1 108.5(3) . . ?
O8 P2 C1 99.8(3) . . ?
Mo1 O1 Mo2 156.4(2) . . ?
Mo2 O15 Mo2 83.09(15) 2 . ?
P2 O12 Mo2 133.4(3) . . ?
Mo3 O9 Mo1 110.5(2) . . ?
P2 O8 Mo1 128.7(2) . . ?
P2 O8 Mo3 113.4(2) . . ?
Mo1 O8 Mo3 86.80(16) . . ?
C1 O7 Mo3 117.4(3) . . ?
P1 O5 Mo1 128.5(2) . . ?
P1 O5 Mo3 111.7(2) . . ?
Mo1 O5 Mo3 86.68(15) . . ?
P1 O3 Mo2 132.9(2) . . ?
C2 C3 C4 110.6(5) . . ?
C3 C2 C1 116.7(5) . . ?
O7 C1 C2 110.3(4) . . ?
O7 C1 P2 103.7(4) . . ?
C2 C1 P2 117.1(4) . . ?
O7 C1 P1 102.9(4) . . ?
C2 C1 P1 110.4(4) . . ?
P2 C1 P1 111.2(3) . . ?
N1 C4 C3 111.0(5) . . ?

_diffrn_measured_fraction_theta_max 0.986
_diffrn_reflns_theta_full        27.48
_diffrn_measured_fraction_theta_full 0.986
_refine_diff_density_max         2.031
_refine_diff_density_min         -0.947
_refine_diff_density_rms         0.159