#------------------------------------------------------------------------------
#$Date: 2016-03-23 22:57:49 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179497 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/94/4339443.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4339443
loop_
_publ_author_name
'Li, Shun-Li'
'Lan, Ya-Qian'
'Ma, Jian-Fang'
'Yang, Jin'
'Wang, Xiao-Hong'
'Su, Zhong-Min'
_publ_section_title
;
 Syntheses and structures of organic-inorganic hybrid compounds based on
 metal-fluconazole coordination polymers and the beta-Mo8O26 anion.
;
_journal_issue                   20
_journal_name_full               'Inorganic chemistry'
_journal_page_first              8283
_journal_page_last               8290
_journal_paper_doi               10.1021/ic700913m
_journal_volume                  46
_journal_year                    2007
_chemical_formula_moiety         'C52 H66 F8 Mo8 N24 Ni2 O39'
_chemical_formula_sum            'C52 H66 F8 Mo8 N24 Ni2 O39'
_chemical_formula_weight         2688.23
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.6440(10)
_cell_angle_beta                 98.9230(10)
_cell_angle_gamma                90.18(5)
_cell_formula_units_Z            1
_cell_length_a                   9.9500(4)
_cell_length_b                   13.4840(5)
_cell_length_c                   16.3670(7)
_cell_measurement_temperature    293(2)
_cell_volume                     2169.15(15)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL-PLUS (Sheldrick, 1990)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.873
_diffrn_measurement_device_type  'Bruker APEX CCD area-detector'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0137
_diffrn_reflns_av_sigmaI/netI    0.0295
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            13330
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.59
_diffrn_reflns_theta_min         1.96
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.656
_exptl_absorpt_correction_T_max  0.533
_exptl_absorpt_correction_T_min  0.441
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            Blue
_exptl_crystal_density_diffrn    2.058
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             1322
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.42
_exptl_crystal_size_min          0.38
_refine_diff_density_max         0.405
_refine_diff_density_min         -0.863
_refine_diff_density_rms         0.079
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     637
_refine_ls_number_reflns         9690
_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0310
_refine_ls_R_factor_gt           0.0257
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0339P)²+0.4705P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0647
_refine_ls_wR_factor_ref         0.0677
_reflns_number_gt                8331
_reflns_number_total             9690
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic700913m-file003.cif
_cod_data_source_block           compound-2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4339443
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
Ni1 Ni 0.0000 0.0000 0.0000 0.02278(9) Uani 1 2 d S
Ni2 Ni 0.5000 0.5000 0.5000 0.02633(10) Uani 1 2 d S
Mo1 Mo 0.534981(19) 0.388466(13) 0.054802(11) 0.02179(5) Uani 1 1 d .
Mo2 Mo 0.75730(2) 0.368315(16) -0.086665(13) 0.03115(6) Uani 1 1 d .
Mo3 Mo 0.77867(2) 0.570445(16) 0.023049(13) 0.02931(6) Uani 1 1 d .
Mo4 Mo 0.44357(2) 0.408159(15) -0.161604(12) 0.02715(6) Uani 1 1 d .
F1 F 0.18300(15) -0.34926(13) -0.34956(10) 0.0476(4) Uani 1 1 d .
F2 F -0.0332(3) -0.11834(19) -0.53554(14) 0.1027(9) Uani 1 1 d .
F3 F 0.6528(2) -0.03873(15) 0.28791(13) 0.0729(6) Uani 1 1 d .
F4 F 0.3045(4) -0.25197(19) 0.3335(2) 0.1469(14) Uani 1 1 d .
C1 C 0.8094(3) 0.4649(2) 0.52730(16) 0.0404(6) Uani 1 1 d .
H1 H 0.8056 0.4493 0.4715 0.048 Uiso 1 1 calc R
C2 C 0.7476(2) 0.49999(18) 0.64088(14) 0.0293(5) Uani 1 1 d .
H2 H 0.6964 0.5146 0.6824 0.035 Uiso 1 1 calc R
C3 C 0.0983(3) -0.07938(19) -0.15920(16) 0.0364(6) Uani 1 1 d .
H16 H 0.1215 -0.0155 -0.1728 0.044 Uiso 1 1 calc R
C4 C 0.0192(2) -0.19657(18) -0.09774(14) 0.0280(5) Uani 1 1 d .
H17 H -0.0228 -0.2342 -0.0616 0.034 Uiso 1 1 calc R
C5 C 0.0803(2) -0.33552(17) -0.18689(14) 0.0290(5) Uani 1 1 d .
H18A H 0.0744 -0.3780 -0.1401 0.035 Uiso 1 1 calc R
H18B H 0.1670 -0.3478 -0.2052 0.035 Uiso 1 1 calc R
C6 C -0.0188(2) -0.47334(17) -0.27773(14) 0.0250(5) Uani 1 1 d .
H20A H 0.0725 -0.4847 -0.2896 0.030 Uiso 1 1 calc R
H20B H -0.0309 -0.5126 -0.2301 0.030 Uiso 1 1 calc R
C7 C -0.0377(2) -0.29765(17) -0.33329(14) 0.0267(5) Uani 1 1 d .
C8 C -0.1488(3) -0.2387(2) -0.36312(17) 0.0404(6) Uani 1 1 d .
H26 H -0.2254 -0.2401 -0.3370 0.048 Uiso 1 1 calc R
C9 C -0.1481(4) -0.1782(3) -0.4308(2) 0.0596(9) Uani 1 1 d .
H25 H -0.2230 -0.1392 -0.4499 0.072 Uiso 1 1 calc R
C10 C -0.0354(4) -0.1765(3) -0.4690(2) 0.0618(9) Uani 1 1 d .
C11 C 0.0769(3) -0.2336(2) -0.44303(19) 0.0527(8) Uani 1 1 d .
H23 H 0.1527 -0.2323 -0.4698 0.063 Uiso 1 1 calc R
C12 C 0.0722(3) -0.29241(19) -0.37590(16) 0.0347(6) Uani 1 1 d .
C13 C -0.0362(2) -0.36252(17) -0.25787(13) 0.0239(5) Uani 1 1 d .
C14 C 0.3065(2) -0.07666(18) 0.04378(16) 0.0343(6) Uani 1 1 d .
H14A H 0.2863 -0.1396 0.0212 0.041 Uiso 1 1 calc R
C15 C 0.2832(2) 0.07169(18) 0.07804(15) 0.0315(5) Uani 1 1 d .
H15A H 0.2482 0.1343 0.0861 0.038 Uiso 1 1 calc R
C16 C 0.5345(2) 0.33248(18) 0.36524(15) 0.0296(5) Uani 1 1 d .
H4 H 0.5380 0.3764 0.3222 0.036 Uiso 1 1 calc R
C17 C 0.5151(3) 0.2700(2) 0.47903(17) 0.0485(7) Uani 1 1 d .
H3 H 0.5010 0.2642 0.5336 0.058 Uiso 1 1 calc R
C18 C 0.4307(3) 0.02642(18) 0.27532(15) 0.0351(6) Uani 1 1 d .
C19 C 0.5193(4) -0.0525(2) 0.29330(18) 0.0504(8) Uani 1 1 d .
C20 C 0.4799(5) -0.1458(3) 0.3124(2) 0.0742(12) Uani 1 1 d .
H11 H 0.5422 -0.1971 0.3226 0.089 Uiso 1 1 calc R
C21 C 0.3464(6) -0.1597(3) 0.3157(3) 0.0908(16) Uani 1 1 d .
C22 C 0.2527(5) -0.0863(3) 0.3019(3) 0.0833(13) Uani 1 1 d .
H9 H 0.1621 -0.0981 0.3066 0.100 Uiso 1 1 calc R
C23 C 0.2960(3) 0.0076(2) 0.2804(2) 0.0540(8) Uani 1 1 d .
H8 H 0.2326 0.0582 0.2693 0.065 Uiso 1 1 calc R
C24 C 0.4750(2) 0.12273(17) 0.23960(14) 0.0265(5) Uani 1 1 d .
C25 C 0.5194(2) 0.09977(17) 0.15459(14) 0.0279(5) Uani 1 1 d .
H13A H 0.5383 0.1613 0.1283 0.033 Uiso 1 1 calc R
H13B H 0.6019 0.0606 0.1625 0.033 Uiso 1 1 calc R
C26 C 0.5945(2) 0.17833(19) 0.29270(15) 0.0337(6) Uani 1 1 d .
H5C H 0.6627 0.1305 0.3149 0.040 Uiso 1 1 calc R
H5D H 0.6359 0.2229 0.2575 0.040 Uiso 1 1 calc R
N1 N 0.1265(2) -0.15881(16) -0.20139(14) 0.0394(5) Uani 1 1 d .
N2 N 0.07500(19) -0.23274(14) -0.16064(12) 0.0267(4) Uani 1 1 d .
N3 N 0.03269(19) -0.09878(14) -0.09464(12) 0.0270(4) Uani 1 1 d .
N4 N -0.11790(18) -0.50439(14) -0.34873(11) 0.0256(4) Uani 1 1 d .
N5 N -0.0762(2) -0.52649(19) -0.42211(13) 0.0402(5) Uani 1 1 d .
N6 N 0.6966(2) 0.48048(15) 0.56237(12) 0.0296(4) Uani 1 1 d .
N7 N 0.41213(19) 0.04546(14) 0.10175(12) 0.0263(4) Uani 1 1 d .
N8 N 0.4280(2) -0.05106(15) 0.08036(13) 0.0328(5) Uani 1 1 d .
N9 N 0.21213(19) -0.00391(14) 0.04146(12) 0.0285(4) Uani 1 1 d .
N10 N 0.5097(2) 0.35794(15) 0.44054(12) 0.0306(4) Uani 1 1 d .
N11 N 0.5535(2) 0.23546(15) 0.36097(12) 0.0309(4) Uani 1 1 d .
N12 N 0.5417(3) 0.19260(18) 0.43427(14) 0.0504(6) Uani 1 1 d .
O1 O 0.8562(2) 0.26561(15) -0.08489(13) 0.0504(5) Uani 1 1 d .
O2 O 0.7949(2) 0.43765(15) -0.16566(12) 0.0437(5) Uani 1 1 d .
O6 O 0.47841(18) 0.33202(13) 0.13545(10) 0.0348(4) Uani 1 1 d .
O3 O 0.58444(18) 0.31610(12) -0.13878(10) 0.0339(4) Uani 1 1 d .
O5 O 0.65793(17) 0.30946(12) 0.02570(11) 0.0330(4) Uani 1 1 d .
O4 O 0.84944(16) 0.44408(14) 0.00550(11) 0.0358(4) Uani 1 1 d .
O7 O 0.66026(15) 0.48531(12) 0.11439(9) 0.0261(3) Uani 1 1 d .
O8 O 0.39044(16) 0.35452(11) -0.03499(10) 0.0269(3) Uani 1 1 d .
O9 O 0.59273(15) 0.48282(11) -0.05302(9) 0.0225(3) Uani 1 1 d .
O10 O 0.88569(19) 0.61407(17) 0.10594(12) 0.0498(5) Uani 1 1 d .
O11 O 0.81799(19) 0.63420(15) -0.05926(12) 0.0414(4) Uani 1 1 d .
O12 O 0.3164(2) 0.33549(15) -0.21126(12) 0.0453(5) Uani 1 1 d .
O13 O 0.49732(19) 0.47679(14) -0.23795(10) 0.0362(4) Uani 1 1 d .
O14 O 0.35945(16) 0.18486(12) 0.22798(10) 0.0300(4) Uani 1 1 d .
H14 H 0.3794 0.2379 0.2088 0.045 Uiso 1 1 calc R
O15 O -0.16360(15) -0.34792(12) -0.23072(10) 0.0294(4) Uani 1 1 d .
H15 H -0.1673 -0.3817 -0.1898 0.044 Uiso 1 1 calc R
O1W O 0.04078(19) 0.11714(13) -0.07380(12) 0.0381(4) Uani 1 1 d D
H1A H 0.1166(19) 0.129(2) -0.0889(19) 0.057 Uiso 1 1 d D
H1B H -0.018(2) 0.1620(19) -0.0854(19) 0.057 Uiso 1 1 d D
O2W O 0.42298(19) 0.42874(16) 0.59543(11) 0.0400(4) Uani 1 1 d D
H2A H 0.455(3) 0.443(2) 0.6451(12) 0.060 Uiso 1 1 d D
H2B H 0.345(2) 0.398(2) 0.5932(18) 0.060 Uiso 1 1 d D
O3W O 0.8209(2) 0.6483(2) 0.39268(18) 0.0749(7) Uani 1 1 d D
H3A H 0.895(3) 0.621(3) 0.417(2) 0.112 Uiso 1 1 d D
H3B H 0.831(4) 0.686(3) 0.353(2) 0.112 Uiso 1 1 d D
O4W O 0.9743(7) 0.7249(5) 0.2640(4) 0.0941(19) Uani 0.50 1 d PD
H4A H 1.047(7) 0.739(7) 0.243(7) 0.141 Uiso 0.50 1 d PD
H4B H 0.929(9) 0.781(4) 0.269(7) 0.141 Uiso 0.50 1 d PD
O5W O 0.7062(2) 0.85608(18) 0.1145(2) 0.0746(8) Uani 1 1 d D
H5A H 0.622(3) 0.868(3) 0.092(3) 0.112 Uiso 1 1 d D
H5B H 0.706(4) 0.800(2) 0.140(3) 0.112 Uiso 1 1 d D
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'
Ni Ni 0.3393 1.1124 '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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
O1W Ni1 O1W 180.00(10) . 2
O1W Ni1 N3 90.88(8) . 2
O1W Ni1 N3 89.12(8) 2 2
O1W Ni1 N3 89.12(8) . .
O1W Ni1 N3 90.88(8) 2 .
N3 Ni1 N3 180.00(13) 2 .
O1W Ni1 N9 93.69(9) . 2
O1W Ni1 N9 86.31(9) 2 2
N3 Ni1 N9 87.45(8) 2 2
N3 Ni1 N9 92.55(8) . 2
O1W Ni1 N9 86.31(9) . .
O1W Ni1 N9 93.69(9) 2 .
N3 Ni1 N9 92.55(8) 2 .
N3 Ni1 N9 87.45(8) . .
N9 Ni1 N9 180.00(16) 2 .
N6 Ni2 N6 180.00(10) 2_666 .
N6 Ni2 O2W 89.78(8) 2_666 2_666
N6 Ni2 O2W 90.22(8) . 2_666
N6 Ni2 O2W 90.22(8) 2_666 .
N6 Ni2 O2W 89.78(8) . .
O2W Ni2 O2W 180.000(1) 2_666 .
N6 Ni2 N10 90.14(9) 2_666 .
N6 Ni2 N10 89.86(9) . .
O2W Ni2 N10 91.62(8) 2_666 .
O2W Ni2 N10 88.38(8) . .
N6 Ni2 N10 89.86(9) 2_666 2_666
N6 Ni2 N10 90.14(9) . 2_666
O2W Ni2 N10 88.38(8) 2_666 2_666
O2W Ni2 N10 91.62(8) . 2_666
N10 Ni2 N10 180.00(9) . 2_666
O6 Mo1 O5 105.39(8) . .
O6 Mo1 O8 100.95(8) . .
O5 Mo1 O8 97.18(8) . .
O6 Mo1 O7 100.16(8) . .
O5 Mo1 O7 96.87(8) . .
O8 Mo1 O7 150.47(7) . .
O6 Mo1 O9 96.48(7) . 2_665
O5 Mo1 O9 158.13(7) . 2_665
O8 Mo1 O9 78.75(7) . 2_665
O7 Mo1 O9 78.56(6) . 2_665
O6 Mo1 O9 172.37(7) . .
O5 Mo1 O9 82.24(7) . .
O8 Mo1 O9 77.98(7) . .
O7 Mo1 O9 78.36(6) . .
O9 Mo1 O9 75.90(6) 2_665 .
O2 Mo2 O1 105.97(10) . .
O2 Mo2 O4 99.94(9) . .
O1 Mo2 O4 102.01(9) . .
O2 Mo2 O3 98.64(9) . .
O1 Mo2 O3 100.97(10) . .
O4 Mo2 O3 145.02(7) . .
O2 Mo2 O5 163.01(8) . .
O1 Mo2 O5 90.99(8) . .
O4 Mo2 O5 76.95(7) . .
O3 Mo2 O5 76.64(7) . .
O2 Mo2 O9 93.16(8) . .
O1 Mo2 O9 160.85(8) . .
O4 Mo2 O9 75.02(6) . .
O3 Mo2 O9 74.61(6) . .
O5 Mo2 O9 69.87(5) . .
O10 Mo3 O11 105.62(10) . .
O10 Mo3 O4 102.92(10) . .
O11 Mo3 O4 101.91(9) . .
O10 Mo3 O8 100.69(9) . 2_665
O11 Mo3 O8 96.73(8) . 2_665
O4 Mo3 O8 144.53(7) . 2_665
O10 Mo3 O7 88.36(8) . .
O11 Mo3 O7 163.21(7) . .
O4 Mo3 O7 83.48(7) . .
O8 Mo3 O7 71.09(6) 2_665 .
O10 Mo3 O9 158.72(8) . .
O11 Mo3 O9 95.31(8) . .
O4 Mo3 O9 75.89(7) . .
O8 Mo3 O9 72.53(6) 2_665 .
O7 Mo3 O9 70.36(6) . .
O12 Mo4 O13 104.87(9) . .
O12 Mo4 O3 101.23(9) . .
O13 Mo4 O3 101.67(8) . .
O12 Mo4 O7 101.67(8) . 2_665
O13 Mo4 O7 97.42(8) . 2_665
O3 Mo4 O7 145.13(7) . 2_665
O12 Mo4 O8 89.35(8) . .
O13 Mo4 O8 163.72(7) . .
O3 Mo4 O8 82.86(7) . .
O7 Mo4 O8 71.49(6) 2_665 .
O12 Mo4 O9 159.80(8) . .
O13 Mo4 O9 95.22(7) . .
O3 Mo4 O9 76.25(6) . .
O7 Mo4 O9 73.17(6) 2_665 .
O8 Mo4 O9 70.46(6) . .
N5 C1 N6 114.7(2) 1_666 .
N5 C1 H1 122.6 1_666 .
N6 C1 H1 122.6 . .
N4 C2 N6 110.0(2) 1_666 .
N4 C2 H2 125.0 1_666 .
N6 C2 H2 125.0 . .
N1 C3 N3 114.5(2) . .
N1 C3 H16 122.8 . .
N3 C3 H16 122.8 . .
N3 C4 N2 109.5(2) . .
N3 C4 H17 125.2 . .
N2 C4 H17 125.2 . .
N2 C5 C13 112.26(19) . .
N2 C5 H18A 109.2 . .
C13 C5 H18A 109.2 . .
N2 C5 H18B 109.2 . .
C13 C5 H18B 109.2 . .
H18A C5 H18B 107.9 . .
N4 C6 C13 110.53(18) . .
N4 C6 H20A 109.5 . .
C13 C6 H20A 109.5 . .
N4 C6 H20B 109.5 . .
C13 C6 H20B 109.5 . .
H20A C6 H20B 108.1 . .
C12 C7 C8 116.0(2) . .
C12 C7 C13 122.0(2) . .
C8 C7 C13 122.0(2) . .
C9 C8 C7 121.6(3) . .
C9 C8 H26 119.2 . .
C7 C8 H26 119.2 . .
C10 C9 C8 119.0(3) . .
C10 C9 H25 120.5 . .
C8 C9 H25 120.5 . .
F2 C10 C9 119.8(3) . .
F2 C10 C11 117.9(3) . .
C9 C10 C11 122.3(3) . .
C12 C11 C10 117.0(3) . .
C12 C11 H23 121.5 . .
C10 C11 H23 121.5 . .
F1 C12 C11 117.5(2) . .
F1 C12 C7 118.2(2) . .
C11 C12 C7 124.3(3) . .
O15 C13 C7 106.03(18) . .
O15 C13 C6 109.52(18) . .
C7 C13 C6 112.45(18) . .
O15 C13 C5 109.56(17) . .
C7 C13 C5 113.0(2) . .
C6 C13 C5 106.26(18) . .
N8 C14 N9 114.5(2) . .
N8 C14 H14A 122.8 . .
N9 C14 H14A 122.8 . .
N9 C15 N7 110.3(2) . .
N9 C15 H15A 124.8 . .
N7 C15 H15A 124.8 . .
N11 C16 N10 109.9(2) . .
N11 C16 H4 125.0 . .
N10 C16 H4 125.0 . .
N12 C17 N10 115.7(2) . .
N12 C17 H3 122.2 . .
N10 C17 H3 122.2 . .
C23 C18 C19 116.0(3) . .
C23 C18 C24 121.4(2) . .
C19 C18 C24 122.0(3) . .
F3 C19 C20 117.1(3) . .
F3 C19 C18 118.5(3) . .
C20 C19 C18 124.3(4) . .
C21 C20 C19 116.9(4) . .
C21 C20 H11 121.6 . .
C19 C20 H11 121.6 . .
C20 C21 C22 123.2(4) . .
C20 C21 F4 118.0(5) . .
C22 C21 F4 118.7(5) . .
C21 C22 C23 118.3(4) . .
C21 C22 H9 120.8 . .
C23 C22 H9 120.8 . .
C18 C23 C22 121.2(4) . .
C18 C23 H8 119.4 . .
C22 C23 H8 119.4 . .
O14 C24 C18 106.53(19) . .
O14 C24 C26 109.25(18) . .
C18 C24 C26 115.8(2) . .
O14 C24 C25 109.33(18) . .
C18 C24 C25 108.71(19) . .
C26 C24 C25 107.11(18) . .
N7 C25 C24 110.05(18) . .
N7 C25 H13A 109.7 . .
C24 C25 H13A 109.7 . .
N7 C25 H13B 109.7 . .
C24 C25 H13B 109.7 . .
H13A C25 H13B 108.2 . .
N11 C26 C24 113.33(19) . .
N11 C26 H5C 108.9 . .
C24 C26 H5C 108.9 . .
N11 C26 H5D 108.9 . .
C24 C26 H5D 108.9 . .
H5C C26 H5D 107.7 . .
C3 N1 N2 102.2(2) . .
C4 N2 N1 110.58(19) . .
C4 N2 C5 127.5(2) . .
N1 N2 C5 121.85(19) . .
C4 N3 C3 103.18(19) . .
C4 N3 Ni1 128.78(16) . .
C3 N3 Ni1 126.90(16) . .
C2 N4 N5 109.73(18) 1_444 .
C2 N4 C6 129.30(18) 1_444 .
N5 N4 C6 119.99(18) . .
C1 N5 N4 102.8(2) 1_444 .
C2 N6 C1 102.7(2) . .
C2 N6 Ni2 129.68(16) . .
C1 N6 Ni2 126.23(17) . .
C15 N7 N8 109.25(19) . .
C15 N7 C25 128.55(19) . .
N8 N7 C25 121.40(18) . .
C14 N8 N7 103.07(19) . .
C15 N9 C14 102.85(19) . .
C15 N9 Ni1 123.92(16) . .
C14 N9 Ni1 133.12(16) . .
C16 N10 C17 102.3(2) . .
C16 N10 Ni2 131.69(17) . .
C17 N10 Ni2 125.12(16) . .
C16 N11 N12 110.5(2) . .
C16 N11 C26 127.8(2) . .
N12 N11 C26 121.5(2) . .
C17 N12 N11 101.6(2) . .
Mo4 O3 Mo2 116.06(9) . .
Mo1 O5 Mo2 113.55(8) . .
Mo3 O4 Mo2 116.58(9) . .
Mo1 O7 Mo4 109.91(7) . 2_665
Mo1 O7 Mo3 110.74(7) . .
Mo4 O7 Mo3 103.51(7) 2_665 .
Mo1 O8 Mo3 110.35(7) . 2_665
Mo1 O8 Mo4 110.90(7) . .
Mo3 O8 Mo4 103.55(7) 2_665 .
Mo1 O9 Mo1 104.10(6) 2_665 .
Mo1 O9 Mo4 91.45(5) 2_665 .
Mo1 O9 Mo4 98.08(6) . .
Mo1 O9 Mo3 91.26(6) 2_665 .
Mo1 O9 Mo3 97.93(6) . .
Mo4 O9 Mo3 162.58(7) . .
Mo1 O9 Mo2 161.55(8) 2_665 .
Mo1 O9 Mo2 94.35(5) . .
Mo4 O9 Mo2 86.01(5) . .
Mo3 O9 Mo2 85.99(5) . .
C24 O14 H14 109.5 . .
C13 O15 H15 109.5 . .
Ni1 O1W H1A 125(2) . .
Ni1 O1W H1B 119(2) . .
H1A O1W H1B 115(2) . .
Ni2 O2W H2A 120(2) . .
Ni2 O2W H2B 128(2) . .
H2A O2W H2B 110(2) . .
H3A O3W H3B 115(3) . .
H4A O4W H4B 108(3) . .
H5A O5W H5B 108(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ni1 O1W 2.0760(18) .
Ni1 O1W 2.0760(18) 2
Ni1 N3 2.0956(18) 2
Ni1 N3 2.0956(18) .
Ni1 N9 2.1156(19) 2
Ni1 N9 2.1156(19) .
Ni2 N6 2.0800(19) 2_666
Ni2 N6 2.0800(19) .
Ni2 O2W 2.0857(19) 2_666
Ni2 O2W 2.0857(19) .
Ni2 N10 2.148(2) .
Ni2 N10 2.148(2) 2_666
Mo1 O6 1.6997(17) .
Mo1 O5 1.7424(17) .
Mo1 O8 1.9398(16) .
Mo1 O7 1.9478(17) .
Mo1 O9 2.1522(17) 2_665
Mo1 O9 2.3287(15) .
Mo2 O2 1.6913(19) .
Mo2 O1 1.6992(19) .
Mo2 O4 1.9209(19) .
Mo2 O3 1.9249(19) .
Mo2 O5 2.3625(17) .
Mo2 O9 2.3760(17) .
Mo3 O10 1.6883(19) .
Mo3 O11 1.7013(18) .
Mo3 O4 1.8818(19) .
Mo3 O8 2.0004(18) 2_665
Mo3 O7 2.3488(17) .
Mo3 O9 2.3679(17) .
Mo4 O12 1.6962(19) .
Mo4 O13 1.7129(18) .
Mo4 O3 1.8719(19) .
Mo4 O7 1.9900(17) 2_665
Mo4 O8 2.3383(16) .
Mo4 O9 2.3467(16) .
F1 C12 1.362(3) .
F2 C10 1.352(4) .
F3 C19 1.357(4) .
F4 C21 1.361(4) .
C1 N5 1.304(3) 1_666
C1 N6 1.354(3) .
C1 H1 0.9300 .
C2 N4 1.324(3) 1_666
C2 N6 1.329(3) .
C2 H2 0.9300 .
C3 N1 1.322(3) .
C3 N3 1.353(3) .
C3 H16 0.9300 .
C4 N3 1.325(3) .
C4 N2 1.332(3) .
C4 H17 0.9300 .
C5 N2 1.450(3) .
C5 C13 1.548(3) .
C5 H18A 0.9700 .
C5 H18B 0.9700 .
C6 N4 1.459(3) .
C6 C13 1.542(3) .
C6 H20A 0.9700 .
C6 H20B 0.9700 .
C7 C12 1.387(3) .
C7 C8 1.392(3) .
C7 C13 1.519(3) .
C8 C9 1.384(4) .
C8 H26 0.9300 .
C9 C10 1.366(5) .
C9 H25 0.9300 .
C10 C11 1.373(5) .
C11 C12 1.369(4) .
C11 H23 0.9300 .
C13 O15 1.421(2) .
C14 N8 1.307(3) .
C14 N9 1.357(3) .
C14 H14A 0.9300 .
C15 N9 1.322(3) .
C15 N7 1.331(3) .
C15 H15A 0.9300 .
C16 N11 1.325(3) .
C16 N10 1.335(3) .
C16 H4 0.9300 .
C17 N12 1.319(3) .
C17 N10 1.347(3) .
C17 H3 0.9300 .
C18 C23 1.379(4) .
C18 C19 1.389(4) .
C18 C24 1.522(3) .
C19 C20 1.369(5) .
C20 C21 1.350(6) .
C20 H11 0.9300 .
C21 C22 1.358(6) .
C22 C23 1.403(5) .
C22 H9 0.9300 .
C23 H8 0.9300 .
C24 O14 1.415(3) .
C24 C26 1.545(3) .
C24 C25 1.552(3) .
C25 N7 1.455(3) .
C25 H13A 0.9700 .
C25 H13B 0.9700 .
C26 N11 1.460(3) .
C26 H5C 0.9700 .
C26 H5D 0.9700 .
N1 N2 1.349(3) .
N4 C2 1.324(3) 1_444
N4 N5 1.360(3) .
N5 C1 1.304(3) 1_444
N7 N8 1.360(3) .
N11 N12 1.359(3) .
O7 Mo4 1.9900(17) 2_665
O8 Mo3 2.0004(18) 2_665
O9 Mo1 2.1522(17) 2_665
O14 H14 0.8200 .
O15 H15 0.8200 .
O1W H1A 0.844(16) .
O1W H1B 0.846(16) .
O2W H2A 0.845(17) .
O2W H2B 0.867(17) .
O3W H3A 0.865(18) .
O3W H3B 0.85(4) .
O4W H4A 0.87(2) .
O4W H4B 0.89(2) .
O5W H5A 0.881(18) .
O5W H5B 0.865(18) .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1W H1B O1 0.846(16) 1.879(17) 2.710(3) 167(3) 1_455
O1W H1A O5W 0.844(16) 1.885(17) 2.726(3) 174(3) 2_665
O2W H2A O13 0.845(17) 1.944(18) 2.781(2) 171(3) 1_556
O2W H2B O3W 0.867(17) 1.818(19) 2.672(3) 168(3) 2_666
O3W H3B O4W 0.85(4) 2.26(3) 2.979(7) 144(4) .
O14 H14 O6 0.82 2.10 2.871(3) 156.1 .
O15 H15 O11 0.82 2.17 2.853(2) 140.6 1_445
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
C12 C7 C8 C9 -0.6(4) . .
C13 C7 C8 C9 178.5(3) . .
C7 C8 C9 C10 0.1(5) . .
C8 C9 C10 F2 179.5(3) . .
C8 C9 C10 C11 0.5(6) . .
F2 C10 C11 C12 -179.6(3) . .
C9 C10 C11 C12 -0.6(5) . .
C10 C11 C12 F1 -180.0(3) . .
C10 C11 C12 C7 0.0(4) . .
C8 C7 C12 F1 -179.5(2) . .
C13 C7 C12 F1 1.4(3) . .
C8 C7 C12 C11 0.6(4) . .
C13 C7 C12 C11 -178.5(2) . .
C12 C7 C13 O15 179.3(2) . .
C8 C7 C13 O15 0.2(3) . .
C12 C7 C13 C6 -61.0(3) . .
C8 C7 C13 C6 119.9(2) . .
C12 C7 C13 C5 59.3(3) . .
C8 C7 C13 C5 -119.8(2) . .
N4 C6 C13 O15 66.2(2) . .
N4 C6 C13 C7 -51.4(2) . .
N4 C6 C13 C5 -175.51(18) . .
N2 C5 C13 O15 -60.8(3) . .
N2 C5 C13 C7 57.2(2) . .
N2 C5 C13 C6 -178.98(19) . .
C23 C18 C19 F3 178.9(3) . .
C24 C18 C19 F3 7.9(4) . .
C23 C18 C19 C20 2.3(5) . .
C24 C18 C19 C20 -168.7(3) . .
F3 C19 C20 C21 -178.5(3) . .
C18 C19 C20 C21 -1.8(5) . .
C19 C20 C21 C22 -0.6(7) . .
C19 C20 C21 F4 179.2(3) . .
C20 C21 C22 C23 2.2(7) . .
F4 C21 C22 C23 -177.5(4) . .
C19 C18 C23 C22 -0.4(5) . .
C24 C18 C23 C22 170.6(3) . .
C21 C22 C23 C18 -1.7(6) . .
C23 C18 C24 O14 8.5(3) . .
C19 C18 C24 O14 179.0(2) . .
C23 C18 C24 C26 130.2(3) . .
C19 C18 C24 C26 -59.3(3) . .
C23 C18 C24 C25 -109.2(3) . .
C19 C18 C24 C25 61.3(3) . .
O14 C24 C25 N7 -62.9(2) . .
C18 C24 C25 N7 53.1(2) . .
C26 C24 C25 N7 178.89(19) . .
O14 C24 C26 N11 40.9(3) . .
C18 C24 C26 N11 -79.3(3) . .
C25 C24 C26 N11 159.2(2) . .
N3 C3 N1 N2 0.1(3) . .
N3 C4 N2 N1 -0.4(3) . .
N3 C4 N2 C5 -178.8(2) . .
C3 N1 N2 C4 0.2(3) . .
C3 N1 N2 C5 178.6(2) . .
C13 C5 N2 C4 96.0(3) . .
C13 C5 N2 N1 -82.2(3) . .
N2 C4 N3 C3 0.4(3) . .
N2 C4 N3 Ni1 -167.82(15) . .
N1 C3 N3 C4 -0.4(3) . .
N1 C3 N3 Ni1 168.19(18) . .
O1W Ni1 N3 C4 -176.4(2) . .
O1W Ni1 N3 C4 3.6(2) 2 .
N9 Ni1 N3 C4 -82.7(2) 2 .
N9 Ni1 N3 C4 97.3(2) . .
O1W Ni1 N3 C3 18.0(2) . .
O1W Ni1 N3 C3 -162.0(2) 2 .
N9 Ni1 N3 C3 111.6(2) 2 .
N9 Ni1 N3 C3 -68.4(2) . .
C13 C6 N4 C2 -57.7(3) . 1_444
C13 C6 N4 N5 109.7(2) . .
C2 N4 N5 C1 -0.6(3) 1_444 1_444
C6 N4 N5 C1 -170.3(2) . 1_444
N4 C2 N6 C1 -0.3(3) 1_666 .
N4 C2 N6 Ni2 -167.42(16) 1_666 .
N5 C1 N6 C2 -0.1(3) 1_666 .
N5 C1 N6 Ni2 167.6(2) 1_666 .
O2W Ni2 N6 C2 131.0(2) 2_666 .
O2W Ni2 N6 C2 -49.0(2) . .
N10 Ni2 N6 C2 -137.4(2) . .
N10 Ni2 N6 C2 42.6(2) 2_666 .
O2W Ni2 N6 C1 -33.4(2) 2_666 .
O2W Ni2 N6 C1 146.6(2) . .
N10 Ni2 N6 C1 58.2(2) . .
N10 Ni2 N6 C1 -121.8(2) 2_666 .
N9 C15 N7 N8 0.0(3) . .
N9 C15 N7 C25 -169.8(2) . .
C24 C25 N7 C15 57.1(3) . .
C24 C25 N7 N8 -111.5(2) . .
N9 C14 N8 N7 -1.3(3) . .
C15 N7 N8 C14 0.8(3) . .
C25 N7 N8 C14 171.4(2) . .
N7 C15 N9 C14 -0.7(3) . .
N7 C15 N9 Ni1 176.11(15) . .
N8 C14 N9 C15 1.3(3) . .
N8 C14 N9 Ni1 -175.11(18) . .
O1W Ni1 N9 C15 59.1(2) . .
O1W Ni1 N9 C15 -120.9(2) 2 .
N3 Ni1 N9 C15 -31.7(2) 2 .
N3 Ni1 N9 C15 148.3(2) . .
O1W Ni1 N9 C14 -125.2(2) . .
O1W Ni1 N9 C14 54.8(2) 2 .
N3 Ni1 N9 C14 144.1(2) 2 .
N3 Ni1 N9 C14 -35.9(2) . .
N11 C16 N10 C17 -0.2(3) . .
N11 C16 N10 Ni2 169.12(16) . .
N12 C17 N10 C16 0.3(3) . .
N12 C17 N10 Ni2 -169.9(2) . .
N6 Ni2 N10 C16 80.2(2) 2_666 .
N6 Ni2 N10 C16 -99.8(2) . .
O2W Ni2 N10 C16 -9.5(2) 2_666 .
O2W Ni2 N10 C16 170.5(2) . .
N6 Ni2 N10 C17 -112.6(2) 2_666 .
N6 Ni2 N10 C17 67.4(2) . .
O2W Ni2 N10 C17 157.6(2) 2_666 .
O2W Ni2 N10 C17 -22.4(2) . .
N10 C16 N11 N12 0.0(3) . .
N10 C16 N11 C26 -174.3(2) . .
C24 C26 N11 C16 -102.3(3) . .
C24 C26 N11 N12 84.0(3) . .
N10 C17 N12 N11 -0.3(4) . .
C16 N11 N12 C17 0.2(3) . .
C26 N11 N12 C17 174.9(2) . .
O12 Mo4 O3 Mo2 176.60(9) . .
O13 Mo4 O3 Mo2 68.65(11) . .
O7 Mo4 O3 Mo2 -53.17(17) 2_665 .
O8 Mo4 O3 Mo2 -95.49(9) . .
O9 Mo4 O3 Mo2 -23.93(8) . .
O2 Mo2 O3 Mo4 -67.11(11) . .
O1 Mo2 O3 Mo4 -175.34(10) . .
O4 Mo2 O3 Mo4 54.36(17) . .
O5 Mo2 O3 Mo4 96.26(9) . .
O9 Mo2 O3 Mo4 23.81(8) . .
O6 Mo1 O5 Mo2 -179.98(8) . .
O8 Mo1 O5 Mo2 76.54(9) . .
O7 Mo1 O5 Mo2 -77.42(9) . .
O9 Mo1 O5 Mo2 -1.1(2) 2_665 .
O9 Mo1 O5 Mo2 -0.22(7) . .
O2 Mo2 O5 Mo1 -2.4(3) . .
O1 Mo2 O5 Mo1 -179.07(11) . .
O4 Mo2 O5 Mo1 78.83(10) . .
O3 Mo2 O5 Mo1 -78.03(10) . .
O9 Mo2 O5 Mo1 0.23(8) . .
O10 Mo3 O4 Mo2 -178.84(10) . .
O11 Mo3 O4 Mo2 -69.54(11) . .
O8 Mo3 O4 Mo2 50.61(17) 2_665 .
O7 Mo3 O4 Mo2 94.35(10) . .
O9 Mo3 O4 Mo2 23.01(8) . .
O2 Mo2 O4 Mo3 67.60(11) . .
O1 Mo2 O4 Mo3 176.44(10) . .
O3 Mo2 O4 Mo3 -53.51(18) . .
O5 Mo2 O4 Mo3 -95.35(10) . .
O9 Mo2 O4 Mo3 -23.03(9) . .
O6 Mo1 O7 Mo4 -71.83(9) . 2_665
O5 Mo1 O7 Mo4 -178.88(8) . 2_665
O8 Mo1 O7 Mo4 63.22(16) . 2_665
O9 Mo1 O7 Mo4 22.79(7) 2_665 2_665
O9 Mo1 O7 Mo4 100.55(8) . 2_665
O6 Mo1 O7 Mo3 174.41(8) . .
O5 Mo1 O7 Mo3 67.37(8) . .
O8 Mo1 O7 Mo3 -50.54(16) . .
O9 Mo1 O7 Mo3 -90.97(7) 2_665 .
O9 Mo1 O7 Mo3 -13.21(6) . .
O10 Mo3 O7 Mo1 -166.99(10) . .
O11 Mo3 O7 Mo1 46.1(3) . .
O4 Mo3 O7 Mo1 -63.79(8) . .
O8 Mo3 O7 Mo1 91.12(8) 2_665 .
O9 Mo3 O7 Mo1 13.52(6) . .
O10 Mo3 O7 Mo4 75.26(9) . 2_665
O11 Mo3 O7 Mo4 -71.7(3) . 2_665
O4 Mo3 O7 Mo4 178.47(8) . 2_665
O8 Mo3 O7 Mo4 -26.62(6) 2_665 2_665
O9 Mo3 O7 Mo4 -104.23(7) . 2_665
O6 Mo1 O8 Mo3 71.26(9) . 2_665
O5 Mo1 O8 Mo3 178.52(8) . 2_665
O7 Mo1 O8 Mo3 -63.65(16) . 2_665
O9 Mo1 O8 Mo3 -23.25(7) 2_665 2_665
O9 Mo1 O8 Mo3 -101.04(8) . 2_665
O6 Mo1 O8 Mo4 -174.60(8) . .
O5 Mo1 O8 Mo4 -67.34(8) . .
O7 Mo1 O8 Mo4 50.50(16) . .
O9 Mo1 O8 Mo4 90.89(7) 2_665 .
O9 Mo1 O8 Mo4 13.11(6) . .
O12 Mo4 O8 Mo1 165.79(10) . .
O13 Mo4 O8 Mo1 -43.0(3) . .
O3 Mo4 O8 Mo1 64.39(8) . .
O7 Mo4 O8 Mo1 -91.66(8) 2_665 .
O9 Mo4 O8 Mo1 -13.51(6) . .
O12 Mo4 O8 Mo3 -75.85(9) . 2_665
O13 Mo4 O8 Mo3 75.4(3) . 2_665
O3 Mo4 O8 Mo3 -177.26(8) . 2_665
O7 Mo4 O8 Mo3 26.69(7) 2_665 2_665
O9 Mo4 O8 Mo3 104.85(7) . 2_665
O5 Mo1 O9 Mo1 -179.67(8) . 2_665
O8 Mo1 O9 Mo1 81.24(7) . 2_665
O7 Mo1 O9 Mo1 -80.96(7) . 2_665
O9 Mo1 O9 Mo1 0.0 2_665 2_665
O5 Mo1 O9 Mo4 86.78(7) . .
O8 Mo1 O9 Mo4 -12.31(6) . .
O7 Mo1 O9 Mo4 -174.52(7) . .
O9 Mo1 O9 Mo4 -93.55(6) 2_665 .
O5 Mo1 O9 Mo3 -86.35(7) . .
O8 Mo1 O9 Mo3 174.56(7) . .
O7 Mo1 O9 Mo3 12.36(6) . .
O9 Mo1 O9 Mo3 93.32(7) 2_665 .
O5 Mo1 O9 Mo2 0.20(7) . .
O8 Mo1 O9 Mo2 -98.89(6) . .
O7 Mo1 O9 Mo2 98.91(6) . .
O9 Mo1 O9 Mo2 179.87(9) 2_665 .
O12 Mo4 O9 Mo1 -95.9(2) . 2_665
O13 Mo4 O9 Mo1 78.16(8) . 2_665
O3 Mo4 O9 Mo1 178.92(7) . 2_665
O7 Mo4 O9 Mo1 -18.04(6) 2_665 2_665
O8 Mo4 O9 Mo1 -93.88(6) . 2_665
O12 Mo4 O9 Mo1 8.6(2) . .
O13 Mo4 O9 Mo1 -177.38(7) . .
O3 Mo4 O9 Mo1 -76.61(7) . .
O7 Mo4 O9 Mo1 86.42(6) 2_665 .
O8 Mo4 O9 Mo1 10.58(5) . .
O12 Mo4 O9 Mo3 165.2(2) . .
O13 Mo4 O9 Mo3 -20.7(2) . .
O3 Mo4 O9 Mo3 80.0(2) . .
O7 Mo4 O9 Mo3 -116.9(2) 2_665 .
O8 Mo4 O9 Mo3 167.2(2) . .
O12 Mo4 O9 Mo2 102.4(2) . .
O13 Mo4 O9 Mo2 -83.55(7) . .
O3 Mo4 O9 Mo2 17.22(6) . .
O7 Mo4 O9 Mo2 -179.75(6) 2_665 .
O8 Mo4 O9 Mo2 104.41(6) . .
O10 Mo3 O9 Mo1 92.4(2) . 2_665
O11 Mo3 O9 Mo1 -77.23(8) . 2_665
O4 Mo3 O9 Mo1 -178.20(7) . 2_665
O8 Mo3 O9 Mo1 18.17(6) 2_665 2_665
O7 Mo3 O9 Mo1 93.79(6) . 2_665
O10 Mo3 O9 Mo1 -12.0(2) . .
O11 Mo3 O9 Mo1 178.35(8) . .
O4 Mo3 O9 Mo1 77.38(7) . .
O8 Mo3 O9 Mo1 -86.25(6) 2_665 .
O7 Mo3 O9 Mo1 -10.64(5) . .
O10 Mo3 O9 Mo4 -168.7(3) . .
O11 Mo3 O9 Mo4 21.7(2) . .
O4 Mo3 O9 Mo4 -79.3(2) . .
O8 Mo3 O9 Mo4 117.1(2) 2_665 .
O7 Mo3 O9 Mo4 -167.3(2) . .
O10 Mo3 O9 Mo2 -105.9(2) . .
O11 Mo3 O9 Mo2 84.51(8) . .
O4 Mo3 O9 Mo2 -16.46(6) . .
O8 Mo3 O9 Mo2 179.91(6) 2_665 .
O7 Mo3 O9 Mo2 -104.47(6) . .
O2 Mo2 O9 Mo1 -1.3(2) . 2_665
O1 Mo2 O9 Mo1 -178.4(3) . 2_665
O4 Mo2 O9 Mo1 98.1(2) . 2_665
O3 Mo2 O9 Mo1 -99.4(2) . 2_665
O5 Mo2 O9 Mo1 179.4(2) . 2_665
O2 Mo2 O9 Mo1 179.06(8) . .
O1 Mo2 O9 Mo1 2.0(3) . .
O4 Mo2 O9 Mo1 -81.48(7) . .
O3 Mo2 O9 Mo1 80.96(7) . .
O5 Mo2 O9 Mo1 -0.16(5) . .
O2 Mo2 O9 Mo4 81.25(8) . .
O1 Mo2 O9 Mo4 -95.8(3) . .
O4 Mo2 O9 Mo4 -179.30(7) . .
O3 Mo2 O9 Mo4 -16.86(6) . .
O5 Mo2 O9 Mo4 -97.98(7) . .
O2 Mo2 O9 Mo3 -83.27(8) . .
O1 Mo2 O9 Mo3 99.6(3) . .
O4 Mo2 O9 Mo3 16.18(6) . .
O3 Mo2 O9 Mo3 178.63(7) . .
O5 Mo2 O9 Mo3 97.51(6) . .
