#------------------------------------------------------------------------------
#$Date: 2017-01-20 15:35:28 +0200 (Fri, 20 Jan 2017) $
#$Revision: 190776 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/32/33/4323371.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_4323371
loop_
_publ_author_name
'Takashi Shibahara'
'Syoji Kobayashi'
'Naoki Tsuji'
'Genta Sakane'
'Minoru Fukuhara'
_publ_section_title
;
 Sulfur-Bridged Cubane-Type Molybdenum-Gallium Clusters with Mo3GaS4n+ (n
 = 5, 6) Cores. X-ray Structures of [Mo3GaS4(H2O)12](CH3C6H4SO3)5.14H2O
 and [Mo3GaS4(H2O)12](CH3C6H4SO3)6.17H2O
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1702
_journal_page_last               1706
_journal_paper_doi               10.1021/ic960897u
_journal_volume                  36
_journal_year                    1997
_chemical_formula_sum            'C35 H87 Ga Mo3 O41 S9'
_chemical_formula_weight         1810.13
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             'Thu Dec 26 20:52:08 1996'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90.64(2)
_cell_angle_beta                 98.40(2)
_cell_angle_gamma                89.32(2)
_cell_formula_units_Z            2
_cell_length_a                   16.406(4)
_cell_length_b                   16.743(3)
_cell_length_c                   13.173(4)
_cell_measurement_reflns_used    23
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      13.1
_cell_measurement_theta_min      10.0
_cell_volume                     3579.2(15)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    SHELXS86
_diffrn_ambient_temperature      296.2
_diffrn_measurement_device       'Rigaku AFC6S'
_diffrn_measurement_method       ω
_diffrn_orient_matrix_UB_11      0.03395
_diffrn_orient_matrix_UB_12      -0.04435
_diffrn_orient_matrix_UB_13      -0.02420
_diffrn_orient_matrix_UB_21      -0.03875
_diffrn_orient_matrix_UB_22      -0.03995
_diffrn_orient_matrix_UB_23      0.02163
_diffrn_orient_matrix_UB_31      -0.03379
_diffrn_orient_matrix_UB_32      0.00238
_diffrn_orient_matrix_UB_33      -0.06954
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku sealed tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  3.59
_diffrn_reflns_av_sigmaI/netI    0.071
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            13093
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.22
_diffrn_standards_decay_%        -8.42
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.238
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.679
_exptl_crystal_density_meas      1.68
_exptl_crystal_description       plate
_exptl_crystal_F_000             1852.00
_exptl_crystal_size_max          0.270
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.140
_refine_diff_density_max         2.35
_refine_diff_density_min         -1.04
_refine_ls_extinction_coef       0.0003(5)
_refine_ls_extinction_method     'Zachariasen(1967) type 2 Gaussian isotropic'
_refine_ls_goodness_of_fit_obs   1.378
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     844
_refine_ls_number_reflns         7612
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0674
_refine_ls_shift/esd_max         0.0220
_refine_ls_shift/esd_mean        0.0010
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[σ²(Fo) + 0.00360|Fo|²]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.1009
_reflns_number_observed          7612
_reflns_number_total             12610
_reflns_observed_criterion       >3.0sigma(I)
_cod_data_source_file            ic960897u_2.cif
_cod_data_source_block           '[Mo3GaS4(H2O)12](pts)5_14H2O'
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-01-20

 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-01-20

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/[\s^2^(Fo) +
0.00360|Fo|^2^]' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w = 1/[\s^2^(Fo) + 0.00360|Fo|^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        3579(1)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C35 H87 Ga Mo3 O41 S9 '
_cod_database_code               4323371
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_thermal_displace_type
_atom_site_calc_flag
_atom_site_calc_attached_atom
_atom_site_occupancy
_atom_site_refinement_flags
_atom_site_attached_hydrogens
Mo1 Mo 0.64524(6) 0.44347(5) 0.30911(7) 0.0326(3) Uani d . 1.00 . 0
Mo2 Mo 0.79790(8) 0.43821(7) 0.25394(9) 0.0230(3) Uani d . 0.75 . 0
Mo3 Mo 0.69085(6) 0.55725(6) 0.18423(7) 0.0350(3) Uani d . 1.00 . 0
Mo4 Mo 0.7549(2) 0.5619(2) 0.3904(3) 0.0233(8) Uiso d . 0.25 . 0
Ga1 Ga 0.77543(10) 0.5882(1) 0.4406(1) 0.0362(5) Uani d . 0.75 . 0
Ga2 Ga 0.8355(4) 0.4152(4) 0.2492(5) 0.048(2) Uiso d . 0.25 . 0
S1 S 0.6783(2) 0.4216(2) 0.1443(2) 0.0418(8) Uani d . 1.00 . 0
S2 S 0.7690(2) 0.4371(2) 0.4188(2) 0.0357(7) Uani d . 1.00 . 0
S3 S 0.8240(2) 0.5718(2) 0.2675(2) 0.0395(8) Uani d . 1.00 . 0
S4 S 0.6353(2) 0.5800(2) 0.3332(2) 0.0415(8) Uani d . 1.00 . 0
Sp1 S 0.2540(2) 0.2886(2) 0.1956(3) 0.0520(10) Uani d . 1.00 . 0
Sp2 S 0.4244(2) 0.2052(2) 0.6159(2) 0.0474(9) Uani d . 1.00 . 0
Sp3 S 0.6473(2) 0.2031(2) 0.0712(2) 0.0438(9) Uani d . 1.00 . 0
Sp4 S 0.8053(2) 0.2068(2) 0.4876(2) 0.0436(8) Uani d . 1.00 . 0
Sp5 S 0.1126(2) 0.2110(2) 0.7851(3) 0.0532(10) Uani d . 1.00 . 0
O11 O 0.5844(4) 0.4312(5) 0.4473(5) 0.041(2) Uani d . 1.00 . 2
O12 O 0.6280(5) 0.3124(4) 0.3118(6) 0.040(2) Uani d . 1.00 . 2
O13 O 0.5146(4) 0.4379(4) 0.2456(6) 0.041(2) Uani d . 1.00 . 2
O21 O 0.9282(8) 0.4219(8) 0.328(1) 0.038(4) Uani d . 0.75 . 2
O22 O 0.860(1) 0.427(1) 0.118(1) 0.048(5) Uani d . 0.75 . 2
O23 O 0.8245(9) 0.3094(8) 0.2579(10) 0.041(4) Uani d . 0.75 . 2
O31 O 0.6874(5) 0.6882(4) 0.1659(6) 0.042(2) Uani d . 1.00 . 2
O32 O 0.5679(5) 0.5751(5) 0.0910(6) 0.044(2) Uani d . 1.00 . 2
O33 O 0.7262(5) 0.5711(5) 0.0317(6) 0.050(2) Uani d . 1.00 . 2
O41 O 0.7234(10) 0.5904(10) 0.574(1) 0.052(4) Uani d . 0.75 . 2
O42 O 0.8823(8) 0.5909(8) 0.525(1) 0.042(4) Uani d . 0.75 . 2
O43 O 0.786(1) 0.7090(10) 0.440(2) 0.052(5) Uani d . 0.75 . 2
O51 O 0.883(3) 0.568(3) 0.498(3) 0.04(1) Uiso d . 0.25 . 2
O52 O 0.768(3) 0.694(3) 0.419(4) 0.03(1) Uiso d . 0.25 . 2
O53 O 0.730(2) 0.591(2) 0.543(3) 0.015(8) Uiso d . 0.25 . 2
O61 O 0.878(4) 0.409(4) 0.119(6) 0.05(2) Uiso d . 0.25 . 2
O62 O 0.949(2) 0.411(2) 0.309(3) 0.02(1) Uiso d . 0.25 . 2
O63 O 0.809(2) 0.299(3) 0.232(3) 0.03(1) Uiso d . 0.25 . 2
Op11 O 0.3413(6) 0.3009(6) 0.2257(7) 0.069(3) Uani d . 1.00 . 0
Op12 O 0.2238(7) 0.3180(6) 0.0944(8) 0.075(3) Uani d . 1.00 . 0
Op13 O 0.2085(6) 0.3216(6) 0.2739(7) 0.068(3) Uani d . 1.00 . 0
Op21 O 0.4925(6) 0.2473(6) 0.587(1) 0.094(4) Uani d . 1.00 . 0
Op22 O 0.4074(7) 0.2249(5) 0.7178(7) 0.069(3) Uani d . 1.00 . 0
Op23 O 0.3527(6) 0.2138(6) 0.5366(7) 0.070(3) Uani d . 1.00 . 0
Op31 O 0.7308(5) 0.2096(5) 0.1262(8) 0.070(3) Uani d . 1.00 . 0
Op32 O 0.5854(5) 0.2371(5) 0.1308(7) 0.053(3) Uani d . 1.00 . 0
Op33 O 0.6401(6) 0.2340(5) -0.0323(7) 0.069(3) Uani d . 1.00 . 0
Op41 O 0.8687(5) 0.2461(5) 0.4410(6) 0.051(3) Uani d . 1.00 . 0
Op42 O 0.7954(6) 0.2424(5) 0.5860(6) 0.061(3) Uani d . 1.00 . 0
Op43 O 0.7265(5) 0.2014(5) 0.4183(7) 0.058(3) Uani d . 1.00 . 0
Op51 O 0.0370(7) 0.2503(8) 0.785(2) 0.199(8) Uani d . 1.00 . 0
Op52 O 0.1758(7) 0.2411(7) 0.8617(7) 0.080(4) Uani d . 1.00 . 0
Op53 O 0.137(1) 0.2110(7) 0.6872(9) 0.163(7) Uani d . 1.00 . 0
Ow1 O 0.4523(5) 0.3417(5) 0.0932(6) 0.046(2) Uani d . 1.00 . 2
Ow2 O 0.4295(5) 0.3550(5) 0.4199(6) 0.048(2) Uani d . 1.00 . 2
Ow3 O 1.0029(5) 0.3232(5) 0.5536(7) 0.057(3) Uani d . 1.00 . 2
Ow4 O 0.9498(5) 0.4660(5) 0.6285(7) 0.058(3) Uani d . 1.00 . 2
Ow5 O 0.6454(6) 0.3267(6) 0.5929(7) 0.069(3) Uani d . 1.00 . 2
Ow6 O 0.7350(6) 0.4611(6) 0.8901(8) 0.075(3) Uani d . 1.00 . 2
Ow7 O 0.5339(6) 0.3203(6) 0.8330(8) 0.076(3) Uani d . 1.00 . 2
Ow8 O 0.8025(7) 0.3171(7) 0.9590(8) 0.086(4) Uani d . 1.00 . 2
Ow9 O 0.5980(6) 0.4446(8) 0.7389(9) 0.098(4) Uani d . 1.00 . 2
Ow10 O 0.8736(7) 0.2797(9) 0.7847(9) 0.112(5) Uani d . 1.00 . 2
Ow11 O 1.0313(8) 0.3220(8) 0.241(1) 0.125(6) Uani d . 1.00 . 2
Ow12 O 0.053(1) 0.322(1) 1.015(2) 0.177(8) Uani d . 1.00 . 2
Ow13 O 0.973(1) 0.534(1) 0.087(1) 0.183(9) Uani d . 1.00 . 2
Ow14a O 0.132(3) 0.488(2) 0.195(3) 0.11(1) Uani d . 0.50 . 2
Ow14b O 1.115(3) 0.536(3) 0.206(3) 0.16(2) Uani d . 0.50 . 2
Cp11 C 0.2365(7) 0.1852(8) 0.1905(9) 0.044(3) Uani d . 1.00 . 0
Cp12 C 0.2466(8) 0.1409(9) 0.2843(10) 0.060(4) Uani d . 1.00 . 1
Cp13 C 0.2401(8) 0.0594(10) 0.279(1) 0.063(5) Uani d . 1.00 . 1
Cp14 C 0.2191(7) 0.0194(8) 0.187(1) 0.054(4) Uani d . 1.00 . 0
Cp15 C 0.2086(9) 0.0621(9) 0.096(1) 0.067(5) Uani d . 1.00 . 1
Cp16 C 0.2154(8) 0.1455(8) 0.0997(10) 0.055(4) Uani d . 1.00 . 1
Cp17 C 0.2106(10) -0.0694(9) 0.182(1) 0.083(6) Uani d . 1.00 . 3
Cp21 C 0.4540(7) 0.1044(7) 0.6202(8) 0.039(3) Uani d . 1.00 . 0
Cp22 C 0.3953(8) 0.0478(7) 0.5744(10) 0.050(4) Uani d . 1.00 . 1
Cp23 C 0.4179(9) -0.0344(7) 0.587(1) 0.056(4) Uani d . 1.00 . 1
Cp24 C 0.4939(9) -0.0572(8) 0.6406(9) 0.051(4) Uani d . 1.00 . 0
Cp25 C 0.5506(8) 0.0011(8) 0.6810(10) 0.053(4) Uani d . 1.00 . 1
Cp26 C 0.5288(7) 0.0827(7) 0.6698(9) 0.043(3) Uani d . 1.00 . 1
Cp27 C 0.514(1) -0.1468(8) 0.659(1) 0.086(6) Uani d . 1.00 . 3
Cp31 C 0.6271(7) 0.1012(6) 0.0580(8) 0.038(3) Uani d . 1.00 . 0
Cp32 C 0.6092(8) 0.0654(7) -0.0391(9) 0.047(4) Uani d . 1.00 . 1
Cp33 C 0.5983(8) -0.0176(8) -0.0454(10) 0.053(4) Uani d . 1.00 . 1
Cp34 C 0.6055(7) -0.0643(7) 0.0430(10) 0.047(4) Uani d . 1.00 . 0
Cp35 C 0.6221(8) -0.0272(8) 0.141(1) 0.055(4) Uani d . 1.00 . 1
Cp36 C 0.6347(8) 0.0534(8) 0.1500(10) 0.053(4) Uani d . 1.00 . 1
Cp37 C 0.5913(9) -0.1535(7) 0.030(1) 0.071(5) Uani d . 1.00 . 3
Cp41 C 0.8417(6) 0.1074(6) 0.5104(8) 0.034(3) Uani d . 1.00 . 0
Cp42 C 0.8073(9) 0.0438(8) 0.448(1) 0.060(4) Uani d . 1.00 . 1
Cp43 C 0.8383(8) -0.0335(7) 0.468(1) 0.055(4) Uani d . 1.00 . 1
Cp44 C 0.9017(7) -0.0479(7) 0.546(1) 0.050(4) Uani d . 1.00 . 0
Cp45 C 0.9372(8) 0.0177(8) 0.6072(10) 0.051(4) Uani d . 1.00 . 1
Cp46 C 0.9063(8) 0.0943(7) 0.5882(9) 0.048(4) Uani d . 1.00 . 1
Cp47 C 0.937(1) -0.1308(8) 0.572(1) 0.071(5) Uani d . 1.00 . 3
Cp51 C 0.0962(7) 0.1092(7) 0.8137(8) 0.045(4) Uani d . 1.00 . 0
Cp52 C 0.0254(8) 0.0899(8) 0.8551(10) 0.052(4) Uani d . 1.00 . 1
Cp53 C 0.0111(8) 0.0106(9) 0.875(1) 0.062(5) Uani d . 1.00 . 1
Cp54 C 0.0703(9) -0.0491(8) 0.8586(10) 0.060(4) Uani d . 1.00 . 0
Cp55 C 0.1421(10) -0.0267(9) 0.821(1) 0.070(5) Uani d . 1.00 . 1
Cp56 C 0.1547(8) 0.0521(9) 0.801(1) 0.059(4) Uani d . 1.00 . 1
Cp57 C 0.054(1) -0.1365(9) 0.879(1) 0.079(6) Uani d . 1.00 . 3
loop_
_atom_type_symbol
_atom_type_oxidation_number
_atom_type_number_in_cell
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Mo 0 6 -1.683 0.686
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
Ga 0 2 0.231 1.608
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
S 0 18 0.125 0.123
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
O 0 82 0.011 0.006
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
C 0 70 0.003 0.002
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
H 0 174 0.000 0.000
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
-7 1 -3
-8 1 -1
1 0 -1
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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Mo2 Mo1 Mo3 60.18(4) 1_555 1_555 1_555 yes
Mo2 Mo1 Mo4 63.07(8) 1_555 1_555 1_555 yes
Mo2 Mo1 S1 53.05(8) 1_555 1_555 1_555 yes
Mo2 Mo1 S2 53.54(8) 1_555 1_555 1_555 yes
Mo2 Mo1 S4 98.15(9) 1_555 1_555 1_555 yes
Mo2 Mo1 O11 139.9(2) 1_555 1_555 1_555 yes
Mo2 Mo1 O12 96.4(2) 1_555 1_555 1_555 yes
Mo2 Mo1 O13 142.1(2) 1_555 1_555 1_555 yes
Mo3 Mo1 Mo4 60.32(8) 1_555 1_555 1_555 yes
Mo3 Mo1 S1 54.35(8) 1_555 1_555 1_555 yes
Mo3 Mo1 S2 96.58(8) 1_555 1_555 1_555 yes
Mo3 Mo1 S4 53.97(8) 1_555 1_555 1_555 yes
Mo3 Mo1 O11 140.6(2) 1_555 1_555 1_555 yes
Mo3 Mo1 O12 139.7(2) 1_555 1_555 1_555 yes
Mo3 Mo1 O13 98.4(2) 1_555 1_555 1_555 yes
Mo4 Mo1 S1 103.6(1) 1_555 1_555 1_555 yes
Mo4 Mo1 S2 48.3(1) 1_555 1_555 1_555 yes
Mo4 Mo1 S4 45.4(1) 1_555 1_555 1_555 yes
Mo4 Mo1 O11 95.9(2) 1_555 1_555 1_555 yes
Mo4 Mo1 O12 141.1(2) 1_555 1_555 1_555 yes
Mo4 Mo1 O13 136.3(2) 1_555 1_555 1_555 yes
S1 Mo1 S2 105.8(1) 1_555 1_555 1_555 yes
S1 Mo1 S4 107.5(1) 1_555 1_555 1_555 yes
S1 Mo1 O11 160.4(2) 1_555 1_555 1_555 yes
S1 Mo1 O12 85.4(2) 1_555 1_555 1_555 yes
S1 Mo1 O13 89.1(2) 1_555 1_555 1_555 yes
S2 Mo1 S4 91.7(1) 1_555 1_555 1_555 yes
S2 Mo1 O11 86.6(2) 1_555 1_555 1_555 yes
S2 Mo1 O12 92.8(2) 1_555 1_555 1_555 yes
S2 Mo1 O13 163.3(2) 1_555 1_555 1_555 yes
S4 Mo1 O11 86.8(2) 1_555 1_555 1_555 yes
S4 Mo1 O12 164.6(2) 1_555 1_555 1_555 yes
S4 Mo1 O13 91.0(2) 1_555 1_555 1_555 yes
O11 Mo1 O12 78.8(3) 1_555 1_555 1_555 yes
O11 Mo1 O13 77.0(3) 1_555 1_555 1_555 yes
O12 Mo1 O13 80.6(3) 1_555 1_555 1_555 yes
Mo1 Mo2 Mo3 59.99(4) 1_555 1_555 1_555 yes
Mo1 Mo2 Mo4 59.88(8) 1_555 1_555 1_555 yes
Mo1 Mo2 Ga2 148.7(5) 1_555 1_555 1_555 yes
Mo1 Mo2 S1 55.11(8) 1_555 1_555 1_555 yes
Mo1 Mo2 S2 54.42(7) 1_555 1_555 1_555 yes
Mo1 Mo2 S3 97.53(9) 1_555 1_555 1_555 yes
Mo1 Mo2 O21 138.5(4) 1_555 1_555 1_555 yes
Mo1 Mo2 O22 141.0(5) 1_555 1_555 1_555 yes
Mo1 Mo2 O23 101.5(4) 1_555 1_555 1_555 yes
Mo1 Mo2 O61 146(1) 1_555 1_555 1_555 yes
Mo1 Mo2 O63 98(1) 1_555 1_555 1_555 yes
Mo3 Mo2 Mo4 59.18(8) 1_555 1_555 1_555 yes
Mo3 Mo2 Ga2 148.9(5) 1_555 1_555 1_555 yes
Mo3 Mo2 S1 54.76(8) 1_555 1_555 1_555 yes
Mo3 Mo2 S2 97.06(8) 1_555 1_555 1_555 yes
Mo3 Mo2 S3 54.22(7) 1_555 1_555 1_555 yes
Mo3 Mo2 O21 139.7(3) 1_555 1_555 1_555 yes
Mo3 Mo2 O22 97.3(5) 1_555 1_555 1_555 yes
Mo3 Mo2 O23 147.1(3) 1_555 1_555 1_555 yes
Mo3 Mo2 O61 106(1) 1_555 1_555 1_555 yes
Mo3 Mo2 O63 137.4(9) 1_555 1_555 1_555 yes
Mo4 Mo2 Ga2 134.8(5) 1_555 1_555 1_555 yes
Mo4 Mo2 S1 102.6(1) 1_555 1_555 1_555 yes
Mo4 Mo2 S2 47.1(1) 1_555 1_555 1_555 yes
Mo4 Mo2 S3 46.7(1) 1_555 1_555 1_555 yes
Mo4 Mo2 O21 96.6(4) 1_555 1_555 1_555 yes
Mo4 Mo2 O22 138.2(5) 1_555 1_555 1_555 yes
Mo4 Mo2 O23 138.4(4) 1_555 1_555 1_555 yes
Mo4 Mo2 O61 143(1) 1_555 1_555 1_555 yes
Mo4 Mo2 O63 144(1) 1_555 1_555 1_555 yes
Ga2 Mo2 S1 122.6(5) 1_555 1_555 1_555 yes
Ga2 Mo2 S2 111.3(5) 1_555 1_555 1_555 yes
Ga2 Mo2 S3 111.2(5) 1_555 1_555 1_555 yes
Ga2 Mo2 O21 38.2(6) 1_555 1_555 1_555 yes
Ga2 Mo2 O22 53.1(7) 1_555 1_555 1_555 yes
Ga2 Mo2 O23 48.0(6) 1_555 1_555 1_555 yes
Ga2 Mo2 O61 44(1) 1_555 1_555 1_555 yes
Ga2 Mo2 O63 53(1) 1_555 1_555 1_555 yes
S1 Mo2 S2 108.7(1) 1_555 1_555 1_555 yes
S1 Mo2 S3 107.9(1) 1_555 1_555 1_555 yes
S1 Mo2 O21 160.8(4) 1_555 1_555 1_555 yes
S1 Mo2 O22 86.0(5) 1_555 1_555 1_555 yes
S1 Mo2 O23 92.4(4) 1_555 1_555 1_555 yes
S1 Mo2 O61 91(1) 1_555 1_555 1_555 yes
S1 Mo2 O63 82.6(9) 1_555 1_555 1_555 yes
S2 Mo2 S3 90.5(1) 1_555 1_555 1_555 yes
S2 Mo2 O21 84.3(4) 1_555 1_555 1_555 yes
S2 Mo2 O22 163.7(5) 1_555 1_555 1_555 yes
S2 Mo2 O23 91.4(4) 1_555 1_555 1_555 yes
S2 Mo2 O61 155(1) 1_555 1_555 1_555 yes
S2 Mo2 O63 97(1) 1_555 1_555 1_555 yes
S3 Mo2 O21 85.6(3) 1_555 1_555 1_555 yes
S3 Mo2 O22 91.6(5) 1_555 1_555 1_555 yes
S3 Mo2 O23 157.8(4) 1_555 1_555 1_555 yes
S3 Mo2 O61 97(1) 1_555 1_555 1_555 yes
S3 Mo2 O63 164(1) 1_555 1_555 1_555 yes
O21 Mo2 O22 79.8(6) 1_555 1_555 1_555 yes
O21 Mo2 O23 72.7(5) 1_555 1_555 1_555 yes
O21 Mo2 O61 73(1) 1_555 1_555 1_555 yes
O21 Mo2 O63 81.6(10) 1_555 1_555 1_555 yes
O22 Mo2 O23 80.7(6) 1_555 1_555 1_555 yes
O22 Mo2 O61 9(1) 1_555 1_555 1_555 yes
O22 Mo2 O63 77(1) 1_555 1_555 1_555 yes
O23 Mo2 O61 72(1) 1_555 1_555 1_555 yes
O23 Mo2 O63 10.2(10) 1_555 1_555 1_555 yes
O61 Mo2 O63 70(1) 1_555 1_555 1_555 yes
Mo1 Mo3 Mo2 59.83(4) 1_555 1_555 1_555 yes
Mo1 Mo3 Mo4 61.25(8) 1_555 1_555 1_555 yes
Mo1 Mo3 S1 54.59(8) 1_555 1_555 1_555 yes
Mo1 Mo3 S3 96.71(8) 1_555 1_555 1_555 yes
Mo1 Mo3 S4 54.10(7) 1_555 1_555 1_555 yes
Mo1 Mo3 O31 140.3(2) 1_555 1_555 1_555 yes
Mo1 Mo3 O32 96.9(2) 1_555 1_555 1_555 yes
Mo1 Mo3 O33 140.9(2) 1_555 1_555 1_555 yes
Mo2 Mo3 Mo4 63.28(8) 1_555 1_555 1_555 yes
Mo2 Mo3 S1 52.96(8) 1_555 1_555 1_555 yes
Mo2 Mo3 S3 53.25(7) 1_555 1_555 1_555 yes
Mo2 Mo3 S4 97.97(9) 1_555 1_555 1_555 yes
Mo2 Mo3 O31 140.1(2) 1_555 1_555 1_555 yes
Mo2 Mo3 O32 140.5(2) 1_555 1_555 1_555 yes
Mo2 Mo3 O33 98.8(2) 1_555 1_555 1_555 yes
Mo4 Mo3 S1 104.6(1) 1_555 1_555 1_555 yes
Mo4 Mo3 S3 48.3(1) 1_555 1_555 1_555 yes
Mo4 Mo3 S4 45.7(1) 1_555 1_555 1_555 yes
Mo4 Mo3 O31 94.9(2) 1_555 1_555 1_555 yes
Mo4 Mo3 O32 136.4(2) 1_555 1_555 1_555 yes
Mo4 Mo3 O33 141.8(2) 1_555 1_555 1_555 yes
S1 Mo3 S3 105.2(1) 1_555 1_555 1_555 yes
S1 Mo3 S4 107.8(1) 1_555 1_555 1_555 yes
S1 Mo3 O31 160.5(2) 1_555 1_555 1_555 yes
S1 Mo3 O32 87.7(2) 1_555 1_555 1_555 yes
S1 Mo3 O33 86.3(2) 1_555 1_555 1_555 yes
S3 Mo3 S4 92.4(1) 1_555 1_555 1_555 yes
S3 Mo3 O31 87.0(2) 1_555 1_555 1_555 yes
S3 Mo3 O32 165.1(2) 1_555 1_555 1_555 yes
S3 Mo3 O33 93.7(2) 1_555 1_555 1_555 yes
S4 Mo3 O31 86.4(2) 1_555 1_555 1_555 yes
S4 Mo3 O32 90.7(2) 1_555 1_555 1_555 yes
S4 Mo3 O33 162.6(2) 1_555 1_555 1_555 yes
O31 Mo3 O32 78.7(3) 1_555 1_555 1_555 yes
O31 Mo3 O33 77.7(3) 1_555 1_555 1_555 yes
O32 Mo3 O33 79.5(3) 1_555 1_555 1_555 yes
Mo1 Mo4 Mo2 57.05(8) 1_555 1_555 1_555 yes
Mo1 Mo4 Mo3 58.43(9) 1_555 1_555 1_555 yes
Mo1 Mo4 Ga1 148.6(3) 1_555 1_555 1_555 yes
Mo1 Mo4 S2 54.1(1) 1_555 1_555 1_555 yes
Mo1 Mo4 S3 99.2(2) 1_555 1_555 1_555 yes
Mo1 Mo4 S4 54.6(1) 1_555 1_555 1_555 yes
Mo1 Mo4 O51 137(1) 1_555 1_555 1_555 yes
Mo1 Mo4 O52 143(1) 1_555 1_555 1_555 yes
Mo1 Mo4 O53 108.1(10) 1_555 1_555 1_555 yes
Mo2 Mo4 Mo3 57.54(8) 1_555 1_555 1_555 yes
Mo2 Mo4 Ga1 140.4(3) 1_555 1_555 1_555 yes
Mo2 Mo4 S2 51.8(1) 1_555 1_555 1_555 yes
Mo2 Mo4 S3 51.7(1) 1_555 1_555 1_555 yes
Mo2 Mo4 S4 100.5(2) 1_555 1_555 1_555 yes
Mo2 Mo4 O51 97.4(10) 1_555 1_555 1_555 yes
Mo2 Mo4 O52 140(1) 1_555 1_555 1_555 yes
Mo2 Mo4 O53 146(1) 1_555 1_555 1_555 yes
Mo3 Mo4 Ga1 148.5(3) 1_555 1_555 1_555 yes
Mo3 Mo4 S2 99.6(2) 1_555 1_555 1_555 yes
Mo3 Mo4 S3 54.6(1) 1_555 1_555 1_555 yes
Mo3 Mo4 S4 55.0(1) 1_555 1_555 1_555 yes
Mo3 Mo4 O51 140(1) 1_555 1_555 1_555 yes
Mo3 Mo4 O52 101(1) 1_555 1_555 1_555 yes
Mo3 Mo4 O53 145(1) 1_555 1_555 1_555 yes
Ga1 Mo4 S2 111.1(3) 1_555 1_555 1_555 yes
Ga1 Mo4 S3 111.2(3) 1_555 1_555 1_555 yes
Ga1 Mo4 S4 119.2(3) 1_555 1_555 1_555 yes
Ga1 Mo4 O51 42.9(10) 1_555 1_555 1_555 yes
Ga1 Mo4 O52 47(1) 1_555 1_555 1_555 yes
Ga1 Mo4 O53 41(1) 1_555 1_555 1_555 yes
S2 Mo4 S3 99.7(2) 1_555 1_555 1_555 yes
S2 Mo4 S4 106.3(2) 1_555 1_555 1_555 yes
S2 Mo4 O51 82(1) 1_555 1_555 1_555 yes
S2 Mo4 O52 158(1) 1_555 1_555 1_555 yes
S2 Mo4 O53 94.5(10) 1_555 1_555 1_555 yes
S3 Mo4 S4 107.5(2) 1_555 1_555 1_555 yes
S3 Mo4 O51 85(1) 1_555 1_555 1_555 yes
S3 Mo4 O52 89(1) 1_555 1_555 1_555 yes
S3 Mo4 O53 152.6(10) 1_555 1_555 1_555 yes
S4 Mo4 O51 161(1) 1_555 1_555 1_555 yes
S4 Mo4 O52 89(1) 1_555 1_555 1_555 yes
S4 Mo4 O53 90(1) 1_555 1_555 1_555 yes
O51 Mo4 O52 78(1) 1_555 1_555 1_555 yes
O51 Mo4 O53 72(1) 1_555 1_555 1_555 yes
O52 Mo4 O53 70(1) 1_555 1_555 1_555 yes
Mo4 Ga1 S2 51.4(3) 1_555 1_555 1_555 yes
Mo4 Ga1 S3 51.2(3) 1_555 1_555 1_555 yes
Mo4 Ga1 S4 44.3(3) 1_555 1_555 1_555 yes
Mo4 Ga1 O41 120.9(5) 1_555 1_555 1_555 yes
Mo4 Ga1 O42 135.0(5) 1_555 1_555 1_555 yes
Mo4 Ga1 O43 123.4(6) 1_555 1_555 1_555 yes
Mo4 Ga1 O51 119(1) 1_555 1_555 1_555 yes
Mo4 Ga1 O52 112(1) 1_555 1_555 1_555 yes
Mo4 Ga1 O53 119(1) 1_555 1_555 1_555 yes
S2 Ga1 S3 79.5(1) 1_555 1_555 1_555 yes
S2 Ga1 S4 81.9(1) 1_555 1_555 1_555 yes
S2 Ga1 O41 94.8(5) 1_555 1_555 1_555 yes
S2 Ga1 O42 96.4(4) 1_555 1_555 1_555 yes
S2 Ga1 O43 172.5(6) 1_555 1_555 1_555 yes
S2 Ga1 O51 83(1) 1_555 1_555 1_555 yes
S2 Ga1 O52 164(1) 1_555 1_555 1_555 yes
S2 Ga1 O53 95(1) 1_555 1_555 1_555 yes
S3 Ga1 S4 82.6(1) 1_555 1_555 1_555 yes
S3 Ga1 O41 172.0(5) 1_555 1_555 1_555 yes
S3 Ga1 O42 98.0(4) 1_555 1_555 1_555 yes
S3 Ga1 O43 93.0(6) 1_555 1_555 1_555 yes
S3 Ga1 O51 86(1) 1_555 1_555 1_555 yes
S3 Ga1 O52 88(1) 1_555 1_555 1_555 yes
S3 Ga1 O53 170(1) 1_555 1_555 1_555 yes
S4 Ga1 O41 91.1(5) 1_555 1_555 1_555 yes
S4 Ga1 O42 178.0(4) 1_555 1_555 1_555 yes
S4 Ga1 O43 97.4(5) 1_555 1_555 1_555 yes
S4 Ga1 O51 163(1) 1_555 1_555 1_555 yes
S4 Ga1 O52 86(1) 1_555 1_555 1_555 yes
S4 Ga1 O53 88(1) 1_555 1_555 1_555 yes
O41 Ga1 O42 88.1(6) 1_555 1_555 1_555 yes
O41 Ga1 O43 92.7(7) 1_555 1_555 1_555 yes
O41 Ga1 O51 98(1) 1_555 1_555 1_555 yes
O41 Ga1 O52 96(1) 1_555 1_555 1_555 yes
O41 Ga1 O53 2(1) 1_555 1_555 1_555 yes
O42 Ga1 O43 84.5(6) 1_555 1_555 1_555 yes
O42 Ga1 O51 15(1) 1_555 1_555 1_555 yes
O42 Ga1 O52 95(1) 1_555 1_555 1_555 yes
O42 Ga1 O53 90(1) 1_555 1_555 1_555 yes
O43 Ga1 O51 95(1) 1_555 1_555 1_555 yes
O43 Ga1 O52 11(1) 1_555 1_555 1_555 yes
O43 Ga1 O53 92(1) 1_555 1_555 1_555 yes
O51 Ga1 O52 105(2) 1_555 1_555 1_555 yes
O51 Ga1 O53 101(1) 1_555 1_555 1_555 yes
O52 Ga1 O53 94(2) 1_555 1_555 1_555 yes
Mo2 Ga2 S2 53.7(5) 1_555 1_555 1_555 yes
Mo2 Ga2 S3 53.8(5) 1_555 1_555 1_555 yes
Mo2 Ga2 O21 126.4(8) 1_555 1_555 1_555 yes
Mo2 Ga2 O22 108.4(9) 1_555 1_555 1_555 yes
Mo2 Ga2 O23 114.3(8) 1_555 1_555 1_555 yes
Mo2 Ga2 O61 120(1) 1_555 1_555 1_555 yes
Mo2 Ga2 O62 139(1) 1_555 1_555 1_555 yes
Mo2 Ga2 O63 109(1) 1_555 1_555 1_555 yes
S2 Ga2 S3 75.8(2) 1_555 1_555 1_555 yes
S2 Ga2 O21 85.3(5) 1_555 1_555 1_555 yes
S2 Ga2 O22 161.5(7) 1_555 1_555 1_555 yes
S2 Ga2 O23 90.6(5) 1_555 1_555 1_555 yes
S2 Ga2 O61 173(1) 1_555 1_555 1_555 yes
S2 Ga2 O62 98(1) 1_555 1_555 1_555 yes
S2 Ga2 O63 96(1) 1_555 1_555 1_555 yes
S3 Ga2 O21 86.8(5) 1_555 1_555 1_555 yes
S3 Ga2 O22 89.6(7) 1_555 1_555 1_555 yes
S3 Ga2 O23 165.7(6) 1_555 1_555 1_555 yes
S3 Ga2 O61 99(1) 1_555 1_555 1_555 yes
S3 Ga2 O62 94(1) 1_555 1_555 1_555 yes
S3 Ga2 O63 163(1) 1_555 1_555 1_555 yes
O21 Ga2 O22 105.5(8) 1_555 1_555 1_555 yes
O21 Ga2 O23 96.8(7) 1_555 1_555 1_555 yes
O21 Ga2 O61 97(2) 1_555 1_555 1_555 yes
O21 Ga2 O62 14(1) 1_555 1_555 1_555 yes
O21 Ga2 O63 107(1) 1_555 1_555 1_555 yes
O22 Ga2 O23 102.7(8) 1_555 1_555 1_555 yes
O22 Ga2 O61 12(1) 1_555 1_555 1_555 yes
O22 Ga2 O62 93(1) 1_555 1_555 1_555 yes
O22 Ga2 O63 94(1) 1_555 1_555 1_555 yes
O23 Ga2 O61 94(1) 1_555 1_555 1_555 yes
O23 Ga2 O62 92(1) 1_555 1_555 1_555 yes
O23 Ga2 O63 11(1) 1_555 1_555 1_555 yes
O61 Ga2 O62 84(2) 1_555 1_555 1_555 yes
O61 Ga2 O63 87(2) 1_555 1_555 1_555 yes
O62 Ga2 O63 101(1) 1_555 1_555 1_555 yes
Mo1 S1 Mo2 71.85(10) 1_555 1_555 1_555 yes
Mo1 S1 Mo3 71.06(9) 1_555 1_555 1_555 yes
Mo2 S1 Mo3 72.28(10) 1_555 1_555 1_555 yes
Mo1 S2 Mo2 72.04(9) 1_555 1_555 1_555 yes
Mo1 S2 Mo4 77.6(1) 1_555 1_555 1_555 yes
Mo1 S2 Ga1 92.6(1) 1_555 1_555 1_555 yes
Mo1 S2 Ga2 84.9(2) 1_555 1_555 1_555 yes
Mo2 S2 Mo4 81.1(1) 1_555 1_555 1_555 yes
Mo2 S2 Ga1 94.3(1) 1_555 1_555 1_555 yes
Mo2 S2 Ga2 15.0(1) 1_555 1_555 1_555 yes
Mo4 S2 Ga1 17.5(1) 1_555 1_555 1_555 yes
Mo4 S2 Ga2 91.3(2) 1_555 1_555 1_555 yes
Ga1 S2 Ga2 101.7(2) 1_555 1_555 1_555 yes
Mo2 S3 Mo3 72.54(9) 1_555 1_555 1_555 yes
Mo2 S3 Mo4 81.6(1) 1_555 1_555 1_555 yes
Mo2 S3 Ga1 94.8(1) 1_555 1_555 1_555 yes
Mo2 S3 Ga2 15.0(1) 1_555 1_555 1_555 yes
Mo3 S3 Mo4 77.2(1) 1_555 1_555 1_555 yes
Mo3 S3 Ga1 92.2(1) 1_555 1_555 1_555 yes
Mo3 S3 Ga2 85.5(2) 1_555 1_555 1_555 yes
Mo4 S3 Ga1 17.6(1) 1_555 1_555 1_555 yes
Mo4 S3 Ga2 91.8(2) 1_555 1_555 1_555 yes
Ga1 S3 Ga2 102.3(2) 1_555 1_555 1_555 yes
Mo1 S4 Mo3 71.93(9) 1_555 1_555 1_555 yes
Mo1 S4 Mo4 80.0(2) 1_555 1_555 1_555 yes
Mo1 S4 Ga1 93.4(1) 1_555 1_555 1_555 yes
Mo3 S4 Mo4 79.2(2) 1_555 1_555 1_555 yes
Mo3 S4 Ga1 92.6(1) 1_555 1_555 1_555 yes
Mo4 S4 Ga1 16.5(1) 1_555 1_555 1_555 yes
Op11 Sp1 Op12 113.1(6) 1_555 1_555 1_555 yes
Op11 Sp1 Op13 109.9(6) 1_555 1_555 1_555 yes
Op11 Sp1 Cp11 108.0(6) 1_555 1_555 1_555 yes
Op12 Sp1 Op13 112.6(6) 1_555 1_555 1_555 yes
Op12 Sp1 Cp11 105.9(6) 1_555 1_555 1_555 yes
Op13 Sp1 Cp11 106.8(6) 1_555 1_555 1_555 yes
Op21 Sp2 Op22 113.7(7) 1_555 1_555 1_555 yes
Op21 Sp2 Op23 109.9(7) 1_555 1_555 1_555 yes
Op21 Sp2 Cp21 105.7(6) 1_555 1_555 1_555 yes
Op22 Sp2 Op23 113.5(6) 1_555 1_555 1_555 yes
Op22 Sp2 Cp21 105.5(5) 1_555 1_555 1_555 yes
Op23 Sp2 Cp21 107.9(5) 1_555 1_555 1_555 yes
Op31 Sp3 Op32 112.0(5) 1_555 1_555 1_555 yes
Op31 Sp3 Op33 112.3(6) 1_555 1_555 1_555 yes
Op31 Sp3 Cp31 106.2(5) 1_555 1_555 1_555 yes
Op32 Sp3 Op33 113.3(6) 1_555 1_555 1_555 yes
Op32 Sp3 Cp31 106.3(5) 1_555 1_555 1_555 yes
Op33 Sp3 Cp31 106.1(5) 1_555 1_555 1_555 yes
Op41 Sp4 Op42 111.9(6) 1_555 1_555 1_555 yes
Op41 Sp4 Op43 112.7(5) 1_555 1_555 1_555 yes
Op41 Sp4 Cp41 105.3(5) 1_555 1_555 1_555 yes
Op42 Sp4 Op43 112.1(6) 1_555 1_555 1_555 yes
Op42 Sp4 Cp41 107.5(5) 1_555 1_555 1_555 yes
Op43 Sp4 Cp41 106.7(5) 1_555 1_555 1_555 yes
Op51 Sp5 Op52 113(1) 1_555 1_555 1_555 yes
Op51 Sp5 Op53 111(1) 1_555 1_555 1_555 yes
Op51 Sp5 Cp51 106.4(7) 1_555 1_555 1_555 yes
Op52 Sp5 Op53 111.6(9) 1_555 1_555 1_555 yes
Op52 Sp5 Cp51 107.8(6) 1_555 1_555 1_555 yes
Op53 Sp5 Cp51 106.2(6) 1_555 1_555 1_555 yes
Mo2 O21 Ga2 15.3(3) 1_555 1_555 1_555 yes
Mo2 O21 O62 120(6) 1_555 1_555 1_555 yes
Ga2 O21 O62 106(6) 1_555 1_555 1_555 yes
Mo2 O22 Ga2 18.5(3) 1_555 1_555 1_555 yes
Mo2 O22 O61 115(12) 1_555 1_555 1_555 yes
Ga2 O22 O61 97(12) 1_555 1_555 1_555 yes
Mo2 O23 Ga2 17.7(3) 1_555 1_555 1_555 yes
Mo2 O23 O63 105(7) 1_555 1_555 1_555 yes
Ga2 O23 O63 112(7) 1_555 1_555 1_555 yes
Ga1 O41 O53 10(6) 1_555 1_555 1_555 yes
Ga1 O42 O51 72(6) 1_555 1_555 1_555 yes
Ga1 O43 O52 53(9) 1_555 1_555 1_555 yes
Mo4 O51 Ga1 17.6(5) 1_555 1_555 1_555 yes
Mo4 O51 O42 109(6) 1_555 1_555 1_555 yes
Ga1 O51 O42 91(6) 1_555 1_555 1_555 yes
Mo4 O52 Ga1 19.7(6) 1_555 1_555 1_555 yes
Mo4 O52 O43 133(10) 1_555 1_555 1_555 yes
Ga1 O52 O43 115(10) 1_555 1_555 1_555 yes
Mo4 O53 Ga1 19.4(5) 1_555 1_555 1_555 yes
Mo4 O53 O41 164(7) 1_555 1_555 1_555 yes
Ga1 O53 O41 166(8) 1_555 1_555 1_555 yes
Mo2 O61 Ga2 15.2(5) 1_555 1_555 1_555 yes
Mo2 O61 O22 55(11) 1_555 1_555 1_555 yes
Ga2 O61 O22 70(11) 1_555 1_555 1_555 yes
Ga2 O62 O21 59(5) 1_555 1_555 1_555 yes
Mo2 O63 Ga2 17.1(4) 1_555 1_555 1_555 yes
Mo2 O63 O23 64(6) 1_555 1_555 1_555 yes
Ga2 O63 O23 55(6) 1_555 1_555 1_555 yes
Sp1 Cp11 Cp12 119.1(10) 1_555 1_555 1_555 yes
Sp1 Cp11 Cp16 121.8(10) 1_555 1_555 1_555 yes
Cp12 Cp11 Cp16 119(1) 1_555 1_555 1_555 yes
Cp11 Cp12 Cp13 118(1) 1_555 1_555 1_555 yes
Cp12 Cp13 Cp14 121(1) 1_555 1_555 1_555 yes
Cp13 Cp14 Cp15 119(1) 1_555 1_555 1_555 yes
Cp13 Cp14 Cp17 121(1) 1_555 1_555 1_555 yes
Cp15 Cp14 Cp17 119(1) 1_555 1_555 1_555 yes
Cp14 Cp15 Cp16 119(1) 1_555 1_555 1_555 yes
Cp11 Cp16 Cp15 121(1) 1_555 1_555 1_555 yes
Sp2 Cp21 Cp22 117.6(9) 1_555 1_555 1_555 yes
Sp2 Cp21 Cp26 119.8(9) 1_555 1_555 1_555 yes
Cp22 Cp21 Cp26 122(1) 1_555 1_555 1_555 yes
Cp21 Cp22 Cp23 116(1) 1_555 1_555 1_555 yes
Cp22 Cp23 Cp24 120(1) 1_555 1_555 1_555 yes
Cp23 Cp24 Cp25 120(1) 1_555 1_555 1_555 yes
Cp23 Cp24 Cp27 119(1) 1_555 1_555 1_555 yes
Cp25 Cp24 Cp27 120(1) 1_555 1_555 1_555 yes
Cp24 Cp25 Cp26 119(1) 1_555 1_555 1_555 yes
Cp21 Cp26 Cp25 120(1) 1_555 1_555 1_555 yes
Sp3 Cp31 Cp32 120.9(9) 1_555 1_555 1_555 yes
Sp3 Cp31 Cp36 118.4(9) 1_555 1_555 1_555 yes
Cp32 Cp31 Cp36 120(1) 1_555 1_555 1_555 yes
Cp31 Cp32 Cp33 118(1) 1_555 1_555 1_555 yes
Cp32 Cp33 Cp34 121(1) 1_555 1_555 1_555 yes
Cp33 Cp34 Cp35 119(1) 1_555 1_555 1_555 yes
Cp33 Cp34 Cp37 118(1) 1_555 1_555 1_555 yes
Cp35 Cp34 Cp37 122(1) 1_555 1_555 1_555 yes
Cp34 Cp35 Cp36 120(1) 1_555 1_555 1_555 yes
Cp31 Cp36 Cp35 119(1) 1_555 1_555 1_555 yes
Sp4 Cp41 Cp42 120.7(9) 1_555 1_555 1_555 yes
Sp4 Cp41 Cp46 118.5(9) 1_555 1_555 1_555 yes
Cp42 Cp41 Cp46 120(1) 1_555 1_555 1_555 yes
Cp41 Cp42 Cp43 118(1) 1_555 1_555 1_555 yes
Cp42 Cp43 Cp44 121(1) 1_555 1_555 1_555 yes
Cp43 Cp44 Cp45 119(1) 1_555 1_555 1_555 yes
Cp43 Cp44 Cp47 123(1) 1_555 1_555 1_555 yes
Cp45 Cp44 Cp47 117(1) 1_555 1_555 1_555 yes
Cp44 Cp45 Cp46 119(1) 1_555 1_555 1_555 yes
Cp41 Cp46 Cp45 120(1) 1_555 1_555 1_555 yes
Sp5 Cp51 Cp52 118(1) 1_555 1_555 1_555 yes
Sp5 Cp51 Cp56 120.2(9) 1_555 1_555 1_555 yes
Cp52 Cp51 Cp56 121(1) 1_555 1_555 1_555 yes
Cp51 Cp52 Cp53 118(1) 1_555 1_555 1_555 yes
Cp52 Cp53 Cp54 119(1) 1_555 1_555 1_555 yes
Cp53 Cp54 Cp55 119(1) 1_555 1_555 1_555 yes
Cp53 Cp54 Cp57 120(1) 1_555 1_555 1_555 yes
Cp55 Cp54 Cp57 120(1) 1_555 1_555 1_555 yes
Cp54 Cp55 Cp56 120(1) 1_555 1_555 1_555 yes
Cp51 Cp56 Cp55 120(1) 1_555 1_555 1_555 yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Mo1 Mo2 2.708(2) 1_555 1_555 yes
Mo1 Mo3 2.713(1) 1_555 1_555 yes
Mo1 Mo4 2.791(4) 1_555 1_555 yes
Mo1 S1 2.338(3) 1_555 1_555 yes
Mo1 S2 2.315(3) 1_555 1_555 yes
Mo1 S4 2.312(3) 1_555 1_555 yes
Mo1 O11 2.213(7) 1_555 1_555 yes
Mo1 O12 2.217(7) 1_555 1_555 yes
Mo1 O13 2.186(7) 1_555 1_555 yes
Mo2 Mo3 2.718(2) 1_555 1_555 yes
Mo2 Mo4 2.877(4) 1_555 1_555 yes
Mo2 Ga2 0.734(7) 1_555 1_555 yes
Mo2 S1 2.277(3) 1_555 1_555 yes
Mo2 S2 2.290(3) 1_555 1_555 yes
Mo2 S3 2.283(3) 1_555 1_555 yes
Mo2 O21 2.23(1) 1_555 1_555 yes
Mo2 O22 2.19(2) 1_555 1_555 yes
Mo2 O23 2.20(1) 1_555 1_555 yes
Mo2 O61 2.41(7) 1_555 1_555 yes
Mo2 O63 2.35(4) 1_555 1_555 yes
Mo3 Mo4 2.766(4) 1_555 1_555 yes
Mo3 S1 2.330(3) 1_555 1_555 yes
Mo3 S3 2.311(3) 1_555 1_555 yes
Mo3 S4 2.308(3) 1_555 1_555 yes
Mo3 O31 2.207(7) 1_555 1_555 yes
Mo3 O32 2.222(7) 1_555 1_555 yes
Mo3 O33 2.186(8) 1_555 1_555 yes
Mo4 Ga1 0.822(4) 1_555 1_555 yes
Mo4 S2 2.132(4) 1_555 1_555 yes
Mo4 S3 2.118(5) 1_555 1_555 yes
Mo4 S4 2.016(5) 1_555 1_555 yes
Mo4 O51 2.36(5) 1_555 1_555 yes
Mo4 O52 2.25(5) 1_555 1_555 yes
Mo4 O53 2.16(4) 1_555 1_555 yes
Ga1 S2 2.546(3) 1_555 1_555 yes
Ga1 S3 2.534(4) 1_555 1_555 yes
Ga1 S4 2.521(3) 1_555 1_555 yes
Ga1 O41 2.06(1) 1_555 1_555 yes
Ga1 O42 1.93(1) 1_555 1_555 yes
Ga1 O43 2.03(2) 1_555 1_555 yes
Ga1 O51 1.85(5) 1_555 1_555 yes
Ga1 O52 1.80(6) 1_555 1_555 yes
Ga1 O53 1.64(4) 1_555 1_555 yes
Ga2 S2 2.646(7) 1_555 1_555 yes
Ga2 S3 2.638(7) 1_555 1_555 yes
Ga2 O21 1.72(1) 1_555 1_555 yes
Ga2 O22 1.85(2) 1_555 1_555 yes
Ga2 O23 1.79(1) 1_555 1_555 yes
Ga2 O61 1.95(7) 1_555 1_555 yes
Ga2 O62 1.91(4) 1_555 1_555 yes
Ga2 O63 2.00(4) 1_555 1_555 yes
Sp1 Op11 1.446(9) 1_555 1_555 yes
Sp1 Op12 1.442(10) 1_555 1_555 yes
Sp1 Op13 1.458(9) 1_555 1_555 yes
Sp1 Cp11 1.76(1) 1_555 1_555 yes
Sp2 Op21 1.428(10) 1_555 1_555 yes
Sp2 Op22 1.444(9) 1_555 1_555 yes
Sp2 Op23 1.461(9) 1_555 1_555 yes
Sp2 Cp21 1.75(1) 1_555 1_555 yes
Sp3 Op31 1.458(9) 1_555 1_555 yes
Sp3 Op32 1.477(8) 1_555 1_555 yes
Sp3 Op33 1.451(10) 1_555 1_555 yes
Sp3 Cp31 1.74(1) 1_555 1_555 yes
Sp4 Op41 1.451(8) 1_555 1_555 yes
Sp4 Op42 1.451(9) 1_555 1_555 yes
Sp4 Op43 1.472(8) 1_555 1_555 yes
Sp4 Cp41 1.78(1) 1_555 1_555 yes
Sp5 Op51 1.40(1) 1_555 1_555 yes
Sp5 Op52 1.428(10) 1_555 1_555 yes
Sp5 Op53 1.41(1) 1_555 1_555 yes
Sp5 Cp51 1.78(1) 1_555 1_555 yes
O21 O62 0.48(4) 1_555 1_555 yes
O22 O61 0.43(6) 1_555 1_555 yes
O23 O63 0.43(4) 1_555 1_555 yes
O41 O53 0.43(4) 1_555 1_555 yes
O42 O51 0.52(4) 1_555 1_555 yes
O43 O52 0.45(5) 1_555 1_555 yes
Ow14a Ow14b 0.86(5) 1_555 1_455 yes
Cp11 Cp12 1.44(2) 1_555 1_555 yes
Cp11 Cp16 1.36(2) 1_555 1_555 yes
Cp12 Cp13 1.37(2) 1_555 1_555 yes
Cp13 Cp14 1.39(2) 1_555 1_555 yes
Cp14 Cp15 1.39(2) 1_555 1_555 yes
Cp14 Cp17 1.49(2) 1_555 1_555 yes
Cp15 Cp16 1.40(2) 1_555 1_555 yes
Cp21 Cp22 1.42(2) 1_555 1_555 yes
Cp21 Cp26 1.35(1) 1_555 1_555 yes
Cp22 Cp23 1.42(2) 1_555 1_555 yes
Cp23 Cp24 1.39(2) 1_555 1_555 yes
Cp24 Cp25 1.40(2) 1_555 1_555 yes
Cp24 Cp27 1.55(2) 1_555 1_555 yes
Cp25 Cp26 1.41(2) 1_555 1_555 yes
Cp31 Cp32 1.40(2) 1_555 1_555 yes
Cp31 Cp36 1.45(2) 1_555 1_555 yes
Cp32 Cp33 1.40(2) 1_555 1_555 yes
Cp33 Cp34 1.40(2) 1_555 1_555 yes
Cp34 Cp35 1.42(2) 1_555 1_555 yes
Cp34 Cp37 1.52(2) 1_555 1_555 yes
Cp35 Cp36 1.37(2) 1_555 1_555 yes
Cp41 Cp42 1.41(2) 1_555 1_555 yes
Cp41 Cp46 1.38(2) 1_555 1_555 yes
Cp42 Cp43 1.40(2) 1_555 1_555 yes
Cp43 Cp44 1.37(2) 1_555 1_555 yes
Cp44 Cp45 1.44(2) 1_555 1_555 yes
Cp44 Cp47 1.52(2) 1_555 1_555 yes
Cp45 Cp46 1.38(2) 1_555 1_555 yes
Cp51 Cp52 1.40(2) 1_555 1_555 yes
Cp51 Cp56 1.37(2) 1_555 1_555 yes
Cp52 Cp53 1.39(2) 1_555 1_555 yes
Cp53 Cp54 1.42(2) 1_555 1_555 yes
Cp54 Cp55 1.40(2) 1_555 1_555 yes
Cp54 Cp57 1.52(2) 1_555 1_555 yes
Cp55 Cp56 1.37(2) 1_555 1_555 yes
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
_geom_contact_publ_flag
Mo1 Mo2 2.708(2) 1_555 1_555 ?
Mo1 Mo3 2.713(1) 1_555 1_555 ?
Mo1 Mo4 2.791(4) 1_555 1_555 ?
Mo2 Mo3 2.718(2) 1_555 1_555 ?
Mo2 Mo4 2.877(4) 1_555 1_555 ?
Mo3 Mo4 2.766(4) 1_555 1_555 ?
Ga1 S2 2.546(3) 1_555 1_555 ?
Ga1 S3 2.534(4) 1_555 1_555 ?
Ga1 S4 2.521(3) 1_555 1_555 ?
Ga2 S2 2.646(7) 1_555 1_555 ?
Ga2 S3 2.638(7) 1_555 1_555 ?
