# Electronic Supplementary Material (ESI) for Chemical Communications.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
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data_mo
_database_code_depnum_ccdc_archive 'CCDC 1824731'
_audit_update_record             
;
2018-02-19 deposited with the CCDC.
2018-03-26 downloaded from the CCDC.
;
_audit_creation_date             2018-02-01
_audit_creation_method           
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        Mo(silox)2O2
_chemical_formula_moiety         'C24 H54 Mo O10 Si2'
_chemical_formula_sum            'C24 H54 Mo O10 Si2'
_chemical_formula_weight         654.79
_chemical_melting_point          ?
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'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   16.151(5)
_cell_length_b                   27.037(8)
_cell_length_c                   16.893(5)
_cell_angle_alpha                90
_cell_angle_beta                 108.232(5)
_cell_angle_gamma                90
_cell_volume                     7006(3)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    4413
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      24.20
_cell_measurement_theta_min      2.24
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    0.486
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.5263
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2012/1 (Bruker,2012) was used for absorption correction.
wR2(int) was 0.1498 before and 0.0626 after correction.
The Ratio of minimum to maximum transmission is 0.7063.
The λ/2 correction factor is 0.0015.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear white'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   .
_exptl_crystal_colour_primary    white
_exptl_crystal_density_diffrn    1.242
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             2784
_exptl_crystal_preparation       'reaction of Mo(silox)3 with O2'
_exptl_crystal_recrystallization_method 
'slow evaporation of a pentane solution at -40 degrees celsius'
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0993
_diffrn_reflns_av_unetI/netI     0.1203
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            36518
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.027
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_min         1.327
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7302
_reflns_number_total             12370
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.34A (Bruker, 2013)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.34A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.109
_refine_diff_density_min         -0.785
_refine_diff_density_rms         0.095
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     703
_refine_ls_number_reflns         12370
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1385
_refine_ls_R_factor_gt           0.0710
_refine_ls_restrained_S_all      1.049
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0432P)²+5.7438P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1184
_refine_ls_wR_factor_ref         0.1423
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.5 times of:
  All C(H,H,H) groups
2.a Idealised Me refined as rotating group:
 C23(H23A,H23B,H23C), C18(H18A,H18B,H18C), C46(H46A,H46B,H46C), C8(H8A,H8B,
 H8C), C24(H24A,H24B,H24C), C7(H7A,H7B,H7C), C47(H47A,H47B,H47C), C19(H19A,H19B,
 H19C), C28(H28A,H28B,H28C), C4(H4A,H4B,H4C), C6(H6A,H6B,H6C), C12(H12A,H12B,
 H12C), C27(H27A,H27B,H27C), C11(H11A,H11B,H11C), C35(H35A,H35B,H35C), C22(H22A,
 H22B,H22C), C20(H20A,H20B,H20C), C43(H43A,H43B,H43C), C32(H32A,H32B,H32C),
 C36(H36A,H36B,H36C), C42(H42A,H42B,H42C), C16(H16A,H16B,H16C), C14(H14A,H14B,
 H14C), C26(H26A,H26B,H26C), C44(H44A,H44B,H44C), C48(H48A,H48B,H48C), C34(H34A,
 H34B,H34C), C10(H10A,H10B,H10C), C15(H15A,H15B,H15C), C3(H3A,H3B,H3C), C2(H2A,
 H2B,H2C), C31(H31A,H31B,H31C), C38(H38A,H38B,H38C), C30(H30A,H30B,H30C),
 C40(H40A,H40B,H40C), C39(H39A,H39B,H39C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Mo2 Mo 0.83121(3) 0.34194(2) 0.59629(3) 0.02900(15) Uani 1 1 d . . . . .
Mo1 Mo 0.33801(3) 0.35193(2) 0.13632(3) 0.03036(16) Uani 1 1 d . . . . .
Si2 Si 0.22013(10) 0.26786(6) 0.18728(10) 0.0264(4) Uani 1 1 d . . . . .
Si4 Si 0.72009(10) 0.26891(6) 0.68042(10) 0.0276(4) Uani 1 1 d . . . . .
Si3 Si 0.74619(10) 0.43751(6) 0.46583(10) 0.0272(4) Uani 1 1 d . . . . .
Si1 Si 0.24509(10) 0.42890(6) -0.02109(10) 0.0263(4) Uani 1 1 d . . . . .
O9 O 0.2573(2) 0.24104(14) 0.2762(2) 0.0292(9) Uani 1 1 d . . . . .
O10 O 0.1662(2) 0.22896(14) 0.1186(2) 0.0291(9) Uani 1 1 d . . . . .
O6 O 0.1414(2) 0.43441(14) -0.0549(2) 0.0301(10) Uani 1 1 d . . . . .
O4 O 0.3024(2) 0.29060(14) 0.1600(2) 0.0315(10) Uani 1 1 d . . . . .
O15 O 0.7812(2) 0.43806(14) 0.3874(2) 0.0294(9) Uani 1 1 d . . . . .
O19 O 0.8085(2) 0.26245(16) 0.7574(2) 0.0371(11) Uani 1 1 d . . . . .
O7 O 0.2848(2) 0.42318(14) -0.0966(2) 0.0297(10) Uani 1 1 d . . . . .
O16 O 0.7923(2) 0.47961(15) 0.5311(2) 0.0355(10) Uani 1 1 d . . . . .
O20 O 0.6692(2) 0.21869(15) 0.6443(2) 0.0347(10) Uani 1 1 d . . . . .
O5 O 0.2888(2) 0.47463(14) 0.0372(2) 0.0323(10) Uani 1 1 d . . . . .
O17 O 0.6430(2) 0.44464(16) 0.4372(2) 0.0366(11) Uani 1 1 d . . . . .
O8 O 0.1611(2) 0.31559(14) 0.1855(2) 0.0335(10) Uani 1 1 d . . . . .
O18 O 0.6551(2) 0.30596(15) 0.7052(2) 0.0364(10) Uani 1 1 d . . . . .
O14 O 0.7548(3) 0.29342(15) 0.6080(2) 0.0382(11) Uani 1 1 d . . . . .
O3 O 0.2693(2) 0.37855(15) 0.0369(2) 0.0341(10) Uani 1 1 d . . . . .
O13 O 0.7702(3) 0.38358(15) 0.5123(2) 0.0400(11) Uani 1 1 d . . . . .
O12 O 0.9137(3) 0.31539(18) 0.5719(3) 0.0501(12) Uani 1 1 d . . . . .
O1 O 0.3428(3) 0.39145(16) 0.2151(3) 0.0505(13) Uani 1 1 d . . . . .
O11 O 0.8728(3) 0.37288(17) 0.6851(3) 0.0524(13) Uani 1 1 d . . . . .
O2 O 0.4396(3) 0.34610(19) 0.1333(3) 0.0598(14) Uani 1 1 d . . . . .
C25 C 0.8668(4) 0.4486(2) 0.3806(4) 0.0308(14) Uani 1 1 d . . . . .
C9 C 0.3672(4) 0.4363(2) -0.1066(4) 0.0305(14) Uani 1 1 d . . . . .
C21 C 0.1794(4) 0.1782(2) 0.1010(3) 0.0286(14) Uani 1 1 d . . . . .
C33 C 0.5696(4) 0.4269(2) 0.3703(4) 0.0348(16) Uani 1 1 d . . . . .
C5 C 0.0723(4) 0.4145(2) -0.1265(3) 0.0308(15) Uani 1 1 d . . . . .
C45 C 0.6888(4) 0.1772(2) 0.5993(4) 0.0310(15) Uani 1 1 d . . . . .
C17 C 0.3156(4) 0.2577(2) 0.3569(3) 0.0322(15) Uani 1 1 d . . . . .
C41 C 0.8231(4) 0.2590(2) 0.8460(4) 0.0335(15) Uani 1 1 d . . . . .
C37 C 0.5612(4) 0.3152(2) 0.6690(4) 0.0381(16) Uani 1 1 d . . . . .
C13 C 0.0686(4) 0.3200(2) 0.1764(4) 0.0370(16) Uani 1 1 d . . . . .
C29 C 0.7707(4) 0.5063(2) 0.5959(4) 0.0363(16) Uani 1 1 d . . . . .
C1 C 0.2554(4) 0.5120(2) 0.0805(4) 0.0357(16) Uani 1 1 d . . . . .
C23 C 0.1468(4) 0.1456(2) 0.1580(4) 0.0439(17) Uani 1 1 d . . . . .
H23A H 0.1776 0.1541 0.2162 0.066 Uiso 1 1 calc GR . . . .
H23B H 0.1578 0.1108 0.1482 0.066 Uiso 1 1 calc GR . . . .
H23C H 0.0841 0.1508 0.1465 0.066 Uiso 1 1 calc GR . . . .
C18 C 0.2990(4) 0.3118(2) 0.3707(4) 0.0400(16) Uani 1 1 d . . . . .
H18A H 0.3115 0.3319 0.3276 0.060 Uiso 1 1 calc GR . . . .
H18B H 0.3368 0.3221 0.4257 0.060 Uiso 1 1 calc GR . . . .
H18C H 0.2379 0.3162 0.3677 0.060 Uiso 1 1 calc GR . . . .
C46 C 0.7858(4) 0.1736(2) 0.6137(4) 0.0385(16) Uani 1 1 d . . . . .
H46A H 0.8060 0.2036 0.5930 0.058 Uiso 1 1 calc GR . . . .
H46B H 0.7981 0.1447 0.5841 0.058 Uiso 1 1 calc GR . . . .
H46C H 0.8163 0.1701 0.6735 0.058 Uiso 1 1 calc GR . . . .
C8 C 0.0768(4) 0.4415(2) -0.2045(4) 0.0383(16) Uani 1 1 d . . . . .
H8A H 0.0670 0.4770 -0.1991 0.057 Uiso 1 1 calc GR . . . .
H8B H 0.0319 0.4284 -0.2535 0.057 Uiso 1 1 calc GR . . . .
H8C H 0.1344 0.4365 -0.2110 0.057 Uiso 1 1 calc GR . . . .
C24 C 0.2749(4) 0.1688(2) 0.1120(4) 0.0399(17) Uani 1 1 d . . . . .
H24A H 0.2940 0.1906 0.0747 0.060 Uiso 1 1 calc GR . . . .
H24B H 0.2828 0.1342 0.0985 0.060 Uiso 1 1 calc GR . . . .
H24C H 0.3096 0.1756 0.1699 0.060 Uiso 1 1 calc GR . . . .
C7 C 0.0848(4) 0.3597(2) -0.1342(4) 0.0387(16) Uani 1 1 d . . . . .
H7A H 0.1408 0.3537 -0.1438 0.058 Uiso 1 1 calc GR . . . .
H7B H 0.0374 0.3466 -0.1811 0.058 Uiso 1 1 calc GR . . . .
H7C H 0.0845 0.3432 -0.0826 0.058 Uiso 1 1 calc GR . . . .
C47 C 0.6559(4) 0.1322(2) 0.6342(4) 0.0422(17) Uani 1 1 d . . . . .
H47A H 0.6892 0.1284 0.6933 0.063 Uiso 1 1 calc GR . . . .
H47B H 0.6634 0.1026 0.6036 0.063 Uiso 1 1 calc GR . . . .
H47C H 0.5940 0.1365 0.6283 0.063 Uiso 1 1 calc GR . . . .
C19 C 0.4079(4) 0.2497(3) 0.3562(4) 0.0444(18) Uani 1 1 d . . . . .
H19A H 0.4153 0.2151 0.3424 0.067 Uiso 1 1 calc GR . . . .
H19B H 0.4487 0.2574 0.4113 0.067 Uiso 1 1 calc GR . . . .
H19C H 0.4196 0.2713 0.3144 0.067 Uiso 1 1 calc GR . . . .
C28 C 0.8662(4) 0.4276(2) 0.2969(4) 0.0434(17) Uani 1 1 d . . . . .
H28A H 0.8550 0.3920 0.2958 0.065 Uiso 1 1 calc GR . . . .
H28B H 0.9229 0.4336 0.2889 0.065 Uiso 1 1 calc GR . . . .
H28C H 0.8204 0.4438 0.2522 0.065 Uiso 1 1 calc GR . . . .
C4 C 0.2007(4) 0.4884(2) 0.1284(4) 0.0423(17) Uani 1 1 d . . . . .
H4A H 0.1474 0.4748 0.0891 0.063 Uiso 1 1 calc GR . . . .
H4B H 0.1853 0.5134 0.1635 0.063 Uiso 1 1 calc GR . . . .
H4C H 0.2340 0.4618 0.1636 0.063 Uiso 1 1 calc GR . . . .
C6 C -0.0116(4) 0.4258(3) -0.1091(4) 0.0433(17) Uani 1 1 d . . . . .
H6A H -0.0136 0.4073 -0.0598 0.065 Uiso 1 1 calc GR . . . .
H6B H -0.0610 0.4161 -0.1572 0.065 Uiso 1 1 calc GR . . . .
H6C H -0.0148 0.4613 -0.0989 0.065 Uiso 1 1 calc GR . . . .
C12 C 0.3680(4) 0.4123(2) -0.1874(4) 0.0439(17) Uani 1 1 d . . . . .
H12A H 0.3613 0.3764 -0.1837 0.066 Uiso 1 1 calc GR . . . .
H12B H 0.4234 0.4195 -0.1973 0.066 Uiso 1 1 calc GR . . . .
H12C H 0.3197 0.4254 -0.2336 0.066 Uiso 1 1 calc GR . . . .
C27 C 0.9366(4) 0.4242(3) 0.4519(4) 0.0482(19) Uani 1 1 d . . . . .
H27A H 0.9371 0.4393 0.5047 0.072 Uiso 1 1 calc GR . . . .
H27B H 0.9937 0.4287 0.4439 0.072 Uiso 1 1 calc GR . . . .
H27C H 0.9240 0.3888 0.4530 0.072 Uiso 1 1 calc GR . . . .
C11 C 0.4417(4) 0.4159(3) -0.0333(4) 0.0449(18) Uani 1 1 d . . . . .
H11A H 0.4385 0.4304 0.0188 0.067 Uiso 1 1 calc GR . . . .
H11B H 0.4978 0.4245 -0.0408 0.067 Uiso 1 1 calc GR . . . .
H11C H 0.4366 0.3799 -0.0310 0.067 Uiso 1 1 calc GR . . . .
C35 C 0.4907(4) 0.4337(3) 0.3983(4) 0.0506(19) Uani 1 1 d . . . . .
H35A H 0.4991 0.4160 0.4508 0.076 Uiso 1 1 calc GR . . . .
H35B H 0.4392 0.4206 0.3557 0.076 Uiso 1 1 calc GR . . . .
H35C H 0.4822 0.4690 0.4065 0.076 Uiso 1 1 calc GR . . . .
C22 C 0.1241(4) 0.1704(2) 0.0105(4) 0.0407(17) Uani 1 1 d . . . . .
H22A H 0.0629 0.1774 0.0045 0.061 Uiso 1 1 calc GR . . . .
H22B H 0.1297 0.1361 -0.0057 0.061 Uiso 1 1 calc GR . . . .
H22C H 0.1440 0.1928 -0.0255 0.061 Uiso 1 1 calc GR . . . .
C20 C 0.2936(5) 0.2255(2) 0.4205(4) 0.0426(17) Uani 1 1 d . . . . .
H20A H 0.2338 0.2322 0.4198 0.064 Uiso 1 1 calc GR . . . .
H20B H 0.3340 0.2326 0.4761 0.064 Uiso 1 1 calc GR . . . .
H20C H 0.2989 0.1906 0.4070 0.064 Uiso 1 1 calc GR . . . .
C43 C 0.9152(4) 0.2391(3) 0.8800(4) 0.0458(18) Uani 1 1 d . . . . .
H43A H 0.9185 0.2067 0.8550 0.069 Uiso 1 1 calc GR . . . .
H43B H 0.9310 0.2356 0.9407 0.069 Uiso 1 1 calc GR . . . .
H43C H 0.9557 0.2621 0.8663 0.069 Uiso 1 1 calc GR . . . .
C32 C 0.7137(4) 0.4755(2) 0.6329(4) 0.0412(17) Uani 1 1 d . . . . .
H32A H 0.6580 0.4687 0.5900 0.062 Uiso 1 1 calc GR . . . .
H32B H 0.7030 0.4937 0.6790 0.062 Uiso 1 1 calc GR . . . .
H32C H 0.7431 0.4443 0.6538 0.062 Uiso 1 1 calc GR . . . .
C36 C 0.5818(4) 0.3719(3) 0.3565(4) 0.0529(19) Uani 1 1 d . . . . .
H36A H 0.6345 0.3672 0.3403 0.079 Uiso 1 1 calc GR . . . .
H36B H 0.5311 0.3595 0.3122 0.079 Uiso 1 1 calc GR . . . .
H36C H 0.5877 0.3537 0.4082 0.079 Uiso 1 1 calc GR . . . .
C42 C 0.8168(4) 0.3111(2) 0.8779(4) 0.0471(18) Uani 1 1 d . . . . .
H42A H 0.8596 0.3325 0.8645 0.071 Uiso 1 1 calc GR . . . .
H42B H 0.8288 0.3102 0.9385 0.071 Uiso 1 1 calc GR . . . .
H42C H 0.7580 0.3241 0.8513 0.071 Uiso 1 1 calc GR . . . .
C16 C 0.0407(4) 0.2786(3) 0.2219(4) 0.0506(19) Uani 1 1 d . . . . .
H16A H 0.0474 0.2469 0.1964 0.076 Uiso 1 1 calc GR . . . .
H16B H -0.0205 0.2832 0.2185 0.076 Uiso 1 1 calc GR . . . .
H16C H 0.0770 0.2787 0.2805 0.076 Uiso 1 1 calc GR . . . .
C14 C 0.0186(4) 0.3189(3) 0.0839(4) 0.056(2) Uani 1 1 d . . . . .
H14A H 0.0417 0.3443 0.0552 0.083 Uiso 1 1 calc GR . . . .
H14B H -0.0432 0.3253 0.0756 0.083 Uiso 1 1 calc GR . . . .
H14C H 0.0252 0.2863 0.0612 0.083 Uiso 1 1 calc GR . . . .
C26 C 0.8786(5) 0.5038(2) 0.3828(4) 0.0455(18) Uani 1 1 d . . . . .
H26A H 0.8310 0.5190 0.3384 0.068 Uiso 1 1 calc GR . . . .
H26B H 0.9345 0.5119 0.3745 0.068 Uiso 1 1 calc GR . . . .
H26C H 0.8780 0.5165 0.4369 0.068 Uiso 1 1 calc GR . . . .
C44 C 0.7581(4) 0.2249(3) 0.8643(4) 0.0504(19) Uani 1 1 d . . . . .
H44A H 0.6992 0.2383 0.8397 0.076 Uiso 1 1 calc GR . . . .
H44B H 0.7708 0.2219 0.9248 0.076 Uiso 1 1 calc GR . . . .
H44C H 0.7616 0.1923 0.8405 0.076 Uiso 1 1 calc GR . . . .
C48 C 0.6385(4) 0.1847(3) 0.5085(4) 0.0486(19) Uani 1 1 d . . . . .
H48A H 0.5761 0.1868 0.5017 0.073 Uiso 1 1 calc GR . . . .
H48B H 0.6492 0.1567 0.4760 0.073 Uiso 1 1 calc GR . . . .
H48C H 0.6576 0.2154 0.4888 0.073 Uiso 1 1 calc GR . . . .
C34 C 0.5633(5) 0.4549(3) 0.2915(4) 0.057(2) Uani 1 1 d . . . . .
H34A H 0.5604 0.4904 0.3015 0.086 Uiso 1 1 calc GR . . . .
H34B H 0.5106 0.4446 0.2473 0.086 Uiso 1 1 calc GR . . . .
H34C H 0.6147 0.4478 0.2744 0.086 Uiso 1 1 calc GR . . . .
C10 C 0.3734(5) 0.4918(2) -0.1126(4) 0.0481(18) Uani 1 1 d . . . . .
H10A H 0.3247 0.5040 -0.1593 0.072 Uiso 1 1 calc GR . . . .
H10B H 0.4286 0.5006 -0.1217 0.072 Uiso 1 1 calc GR . . . .
H10C H 0.3710 0.5070 -0.0607 0.072 Uiso 1 1 calc GR . . . .
C15 C 0.0582(5) 0.3694(3) 0.2130(5) 0.062(2) Uani 1 1 d . . . . .
H15A H 0.0933 0.3701 0.2720 0.093 Uiso 1 1 calc GR . . . .
H15B H -0.0033 0.3746 0.2080 0.093 Uiso 1 1 calc GR . . . .
H15C H 0.0778 0.3956 0.1830 0.093 Uiso 1 1 calc GR . . . .
C3 C 0.3358(5) 0.5357(3) 0.1400(5) 0.061(2) Uani 1 1 d . . . . .
H3A H 0.3704 0.5105 0.1777 0.092 Uiso 1 1 calc GR . . . .
H3B H 0.3183 0.5613 0.1726 0.092 Uiso 1 1 calc GR . . . .
H3C H 0.3708 0.5507 0.1082 0.092 Uiso 1 1 calc GR . . . .
C2 C 0.2026(5) 0.5486(3) 0.0166(5) 0.057(2) Uani 1 1 d . . . . .
H2A H 0.2371 0.5598 -0.0184 0.086 Uiso 1 1 calc GR . . . .
H2B H 0.1871 0.5770 0.0451 0.086 Uiso 1 1 calc GR . . . .
H2C H 0.1493 0.5325 -0.0184 0.086 Uiso 1 1 calc GR . . . .
C31 C 0.8566(5) 0.5174(3) 0.6609(4) 0.069(3) Uani 1 1 d . . . . .
H31A H 0.8866 0.4863 0.6819 0.103 Uiso 1 1 calc GR . . . .
H31B H 0.8463 0.5357 0.7070 0.103 Uiso 1 1 calc GR . . . .
H31C H 0.8927 0.5373 0.6360 0.103 Uiso 1 1 calc GR . . . .
C38 C 0.5449(5) 0.3629(3) 0.7078(5) 0.073(3) Uani 1 1 d . . . . .
H38A H 0.5596 0.3586 0.7683 0.110 Uiso 1 1 calc GR . . . .
H38B H 0.4834 0.3720 0.6845 0.110 Uiso 1 1 calc GR . . . .
H38C H 0.5813 0.3891 0.6960 0.110 Uiso 1 1 calc GR . . . .
C30 C 0.7231(6) 0.5525(3) 0.5565(5) 0.075(3) Uani 1 1 d . . . . .
H30A H 0.7597 0.5714 0.5308 0.112 Uiso 1 1 calc GR . . . .
H30B H 0.7100 0.5727 0.5992 0.112 Uiso 1 1 calc GR . . . .
H30C H 0.6686 0.5433 0.5137 0.112 Uiso 1 1 calc GR . . . .
C40 C 0.5395(5) 0.3206(4) 0.5764(5) 0.088(3) Uani 1 1 d . . . . .
H40A H 0.5790 0.3447 0.5640 0.132 Uiso 1 1 calc GR . . . .
H40B H 0.4792 0.3321 0.5528 0.132 Uiso 1 1 calc GR . . . .
H40C H 0.5461 0.2886 0.5519 0.132 Uiso 1 1 calc GR . . . .
C39 C 0.5150(5) 0.2730(3) 0.6917(7) 0.094(3) Uani 1 1 d . . . . .
H39A H 0.5268 0.2429 0.6647 0.140 Uiso 1 1 calc GR . . . .
H39B H 0.4522 0.2796 0.6730 0.140 Uiso 1 1 calc GR . . . .
H39C H 0.5354 0.2686 0.7523 0.140 Uiso 1 1 calc GR . . . .


_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
Mo2 O14 1.853(4) . ?
Mo2 O13 1.838(4) . ?
Mo2 O12 1.675(4) . ?
Mo2 O11 1.664(4) . ?
Mo1 O4 1.840(4) . ?
Mo1 O3 1.845(4) . ?
Mo1 O1 1.689(4) . ?
Mo1 O2 1.665(4) . ?
Si2 O9 1.606(4) . ?
Si2 O10 1.606(4) . ?
Si2 O4 1.655(4) . ?
Si2 O8 1.599(4) . ?
Si4 O19 1.612(4) . ?
Si4 O20 1.606(4) . ?
Si4 O18 1.599(4) . ?
Si4 O14 1.637(4) . ?
Si3 O15 1.595(4) . ?
Si3 O16 1.598(4) . ?
Si3 O17 1.595(4) . ?
Si3 O13 1.644(4) . ?
Si1 O6 1.599(4) . ?
Si1 O7 1.604(4) . ?
Si1 O5 1.601(4) . ?
Si1 O3 1.651(4) . ?
O9 C17 1.464(6) . ?
O10 C21 1.435(7) . ?
O6 C5 1.467(6) . ?
O15 C25 1.453(7) . ?
O19 C41 1.444(7) . ?
O7 C9 1.438(7) . ?
O16 C29 1.443(7) . ?
O20 C45 1.445(7) . ?
O5 C1 1.447(7) . ?
O17 C33 1.441(6) . ?
O8 C13 1.457(7) . ?
O18 C37 1.468(7) . ?
C25 C28 1.520(8) . ?
C25 C27 1.519(8) . ?
C25 C26 1.503(8) . ?
C9 C12 1.515(8) . ?
C9 C11 1.534(8) . ?
C9 C10 1.510(8) . ?
C21 C23 1.516(8) . ?
C21 C24 1.515(8) . ?
C21 C22 1.525(8) . ?
C33 C35 1.503(8) . ?
C33 C36 1.528(9) . ?
C33 C34 1.508(9) . ?
C5 C8 1.527(8) . ?
C5 C7 1.507(8) . ?
C5 C6 1.505(8) . ?
C45 C46 1.513(8) . ?
C45 C47 1.519(8) . ?
C45 C48 1.508(8) . ?
C17 C18 1.517(8) . ?
C17 C19 1.510(8) . ?
C17 C20 1.511(8) . ?
C41 C43 1.516(8) . ?
C41 C42 1.523(8) . ?
C41 C44 1.501(8) . ?
C37 C38 1.507(9) . ?
C37 C40 1.500(9) . ?
C37 C39 1.477(10) . ?
C13 C16 1.506(9) . ?
C13 C14 1.518(8) . ?
C13 C15 1.502(9) . ?
C29 C32 1.515(8) . ?
C29 C31 1.504(9) . ?
C29 C30 1.507(9) . ?
C1 C4 1.514(8) . ?
C1 C3 1.512(9) . ?
C1 C2 1.515(9) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?

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
O13 Mo2 O14 107.60(18) . . ?
O12 Mo2 O14 109.3(2) . . ?
O12 Mo2 O13 110.3(2) . . ?
O11 Mo2 O14 110.7(2) . . ?
O11 Mo2 O13 110.8(2) . . ?
O11 Mo2 O12 108.0(2) . . ?
O4 Mo1 O3 114.17(17) . . ?
O1 Mo1 O4 109.86(19) . . ?
O1 Mo1 O3 109.7(2) . . ?
O2 Mo1 O4 107.4(2) . . ?
O2 Mo1 O3 109.1(2) . . ?
O2 Mo1 O1 106.3(2) . . ?
O9 Si2 O4 109.3(2) . . ?
O10 Si2 O9 109.9(2) . . ?
O10 Si2 O4 110.0(2) . . ?
O8 Si2 O9 115.3(2) . . ?
O8 Si2 O10 109.3(2) . . ?
O8 Si2 O4 102.8(2) . . ?
O19 Si4 O14 102.8(2) . . ?
O20 Si4 O19 115.7(2) . . ?
O20 Si4 O14 108.2(2) . . ?
O18 Si4 O19 110.2(2) . . ?
O18 Si4 O20 109.2(2) . . ?
O18 Si4 O14 110.4(2) . . ?
O15 Si3 O16 110.9(2) . . ?
O15 Si3 O17 110.8(2) . . ?
O15 Si3 O13 108.2(2) . . ?
O16 Si3 O13 108.2(2) . . ?
O17 Si3 O16 109.9(2) . . ?
O17 Si3 O13 108.7(2) . . ?
O6 Si1 O7 111.1(2) . . ?
O6 Si1 O5 111.0(2) . . ?
O6 Si1 O3 108.4(2) . . ?
O7 Si1 O3 108.2(2) . . ?
O5 Si1 O7 110.8(2) . . ?
O5 Si1 O3 107.1(2) . . ?
C17 O9 Si2 132.4(4) . . ?
C21 O10 Si2 134.0(3) . . ?
C5 O6 Si1 134.6(3) . . ?
Si2 O4 Mo1 136.7(2) . . ?
C25 O15 Si3 131.4(3) . . ?
C41 O19 Si4 131.2(4) . . ?
C9 O7 Si1 133.3(3) . . ?
C29 O16 Si3 135.2(4) . . ?
C45 O20 Si4 133.3(4) . . ?
C1 O5 Si1 133.5(4) . . ?
C33 O17 Si3 136.3(4) . . ?
C13 O8 Si2 130.8(4) . . ?
C37 O18 Si4 132.5(4) . . ?
Si4 O14 Mo2 139.6(3) . . ?
Si1 O3 Mo1 145.6(2) . . ?
Si3 O13 Mo2 154.4(3) . . ?
O15 C25 C28 105.7(5) . . ?
O15 C25 C27 109.9(5) . . ?
O15 C25 C26 108.0(5) . . ?
C27 C25 C28 111.2(5) . . ?
C26 C25 C28 111.0(5) . . ?
C26 C25 C27 110.8(5) . . ?
O7 C9 C12 105.6(5) . . ?
O7 C9 C11 109.7(5) . . ?
O7 C9 C10 109.7(5) . . ?
C12 C9 C11 110.4(5) . . ?
C10 C9 C12 110.3(5) . . ?
C10 C9 C11 111.0(5) . . ?
O10 C21 C23 108.7(5) . . ?
O10 C21 C24 110.2(5) . . ?
O10 C21 C22 105.1(5) . . ?
C23 C21 C22 110.2(5) . . ?
C24 C21 C23 111.5(5) . . ?
C24 C21 C22 110.8(5) . . ?
O17 C33 C35 106.5(5) . . ?
O17 C33 C36 109.2(5) . . ?
O17 C33 C34 109.7(5) . . ?
C35 C33 C36 109.3(5) . . ?
C35 C33 C34 112.8(5) . . ?
C34 C33 C36 109.3(6) . . ?
O6 C5 C8 107.9(5) . . ?
O6 C5 C7 110.0(5) . . ?
O6 C5 C6 105.3(4) . . ?
C7 C5 C8 110.6(5) . . ?
C6 C5 C8 111.2(5) . . ?
C6 C5 C7 111.7(5) . . ?
O20 C45 C46 110.6(5) . . ?
O20 C45 C47 104.9(5) . . ?
O20 C45 C48 107.1(5) . . ?
C46 C45 C47 110.9(5) . . ?
C48 C45 C46 111.9(5) . . ?
C48 C45 C47 111.2(5) . . ?
O9 C17 C18 110.3(5) . . ?
O9 C17 C19 107.3(5) . . ?
O9 C17 C20 104.9(5) . . ?
C19 C17 C18 111.3(5) . . ?
C19 C17 C20 112.0(5) . . ?
C20 C17 C18 110.8(5) . . ?
O19 C41 C43 103.8(5) . . ?
O19 C41 C42 107.4(5) . . ?
O19 C41 C44 110.9(5) . . ?
C43 C41 C42 111.1(5) . . ?
C44 C41 C43 111.8(5) . . ?
C44 C41 C42 111.5(5) . . ?
O18 C37 C38 105.2(5) . . ?
O18 C37 C40 108.9(5) . . ?
O18 C37 C39 107.5(5) . . ?
C40 C37 C38 110.7(6) . . ?
C39 C37 C38 112.2(6) . . ?
C39 C37 C40 112.0(7) . . ?
O8 C13 C16 110.2(5) . . ?
O8 C13 C14 107.8(5) . . ?
O8 C13 C15 105.8(5) . . ?
C16 C13 C14 111.3(6) . . ?
C15 C13 C16 111.1(6) . . ?
C15 C13 C14 110.5(6) . . ?
O16 C29 C32 111.1(5) . . ?
O16 C29 C31 105.4(5) . . ?
O16 C29 C30 106.8(5) . . ?
C31 C29 C32 110.4(6) . . ?
C31 C29 C30 112.7(7) . . ?
C30 C29 C32 110.2(6) . . ?
O5 C1 C4 110.3(5) . . ?
O5 C1 C3 104.7(5) . . ?
O5 C1 C2 108.1(5) . . ?
C4 C1 C2 111.3(5) . . ?
C3 C1 C4 110.3(5) . . ?
C3 C1 C2 111.9(6) . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46B 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C5 C8 H8A 109.5 . . ?
C5 C8 H8B 109.5 . . ?
C5 C8 H8C 109.5 . . ?
H8A C8 H8B 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C5 C7 H7A 109.5 . . ?
C5 C7 H7B 109.5 . . ?
C5 C7 H7C 109.5 . . ?
H7A C7 H7B 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C45 C47 H47A 109.5 . . ?
C45 C47 H47B 109.5 . . ?
C45 C47 H47C 109.5 . . ?
H47A C47 H47B 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C25 C28 H28A 109.5 . . ?
C25 C28 H28B 109.5 . . ?
C25 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C1 C4 H4A 109.5 . . ?
C1 C4 H4B 109.5 . . ?
C1 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12B 109.5 . . ?
C9 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C33 C35 H35A 109.5 . . ?
C33 C35 H35B 109.5 . . ?
C33 C35 H35C 109.5 . . ?
H35A C35 H35B 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C41 C43 H43A 109.5 . . ?
C41 C43 H43B 109.5 . . ?
C41 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C29 C32 H32A 109.5 . . ?
C29 C32 H32B 109.5 . . ?
C29 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C33 C36 H36A 109.5 . . ?
C33 C36 H36B 109.5 . . ?
C33 C36 H36C 109.5 . . ?
H36A C36 H36B 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C13 C16 H16A 109.5 . . ?
C13 C16 H16B 109.5 . . ?
C13 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26B 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C41 C44 H44A 109.5 . . ?
C41 C44 H44B 109.5 . . ?
C41 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C45 C48 H48A 109.5 . . ?
C45 C48 H48B 109.5 . . ?
C45 C48 H48C 109.5 . . ?
H48A C48 H48B 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34B 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C1 C3 H3A 109.5 . . ?
C1 C3 H3B 109.5 . . ?
C1 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31B 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C37 C40 H40A 109.5 . . ?
C37 C40 H40B 109.5 . . ?
C37 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Si2 O9 C17 C18 36.5(7) . . . . ?
Si2 O9 C17 C19 -84.9(6) . . . . ?
Si2 O9 C17 C20 155.8(4) . . . . ?
Si2 O10 C21 C23 82.9(6) . . . . ?
Si2 O10 C21 C24 -39.6(7) . . . . ?
Si2 O10 C21 C22 -159.1(4) . . . . ?
Si2 O8 C13 C16 37.5(7) . . . . ?
Si2 O8 C13 C14 -84.0(6) . . . . ?
Si2 O8 C13 C15 157.7(5) . . . . ?
Si4 O19 C41 C43 164.5(4) . . . . ?
Si4 O19 C41 C42 -77.7(6) . . . . ?
Si4 O19 C41 C44 44.3(7) . . . . ?
Si4 O20 C45 C46 22.3(7) . . . . ?
Si4 O20 C45 C47 141.9(4) . . . . ?
Si4 O20 C45 C48 -99.9(6) . . . . ?
Si4 O18 C37 C38 -166.2(5) . . . . ?
Si4 O18 C37 C40 -47.4(8) . . . . ?
Si4 O18 C37 C39 74.1(7) . . . . ?
Si3 O15 C25 C28 162.6(4) . . . . ?
Si3 O15 C25 C27 42.4(7) . . . . ?
Si3 O15 C25 C26 -78.6(6) . . . . ?
Si3 O16 C29 C32 29.0(8) . . . . ?
Si3 O16 C29 C31 148.6(5) . . . . ?
Si3 O16 C29 C30 -91.3(7) . . . . ?
Si3 O17 C33 C35 160.1(5) . . . . ?
Si3 O17 C33 C36 42.2(8) . . . . ?
Si3 O17 C33 C34 -77.5(7) . . . . ?
Si1 O6 C5 C8 -73.7(6) . . . . ?
Si1 O6 C5 C7 47.0(7) . . . . ?
Si1 O6 C5 C6 167.5(4) . . . . ?
Si1 O7 C9 C12 170.0(4) . . . . ?
Si1 O7 C9 C11 51.0(7) . . . . ?
Si1 O7 C9 C10 -71.1(6) . . . . ?
Si1 O5 C1 C4 48.0(7) . . . . ?
Si1 O5 C1 C3 166.7(5) . . . . ?
Si1 O5 C1 C2 -73.9(7) . . . . ?
O9 Si2 O10 C21 -41.0(5) . . . . ?
O9 Si2 O4 Mo1 -119.5(3) . . . . ?
O9 Si2 O8 C13 -83.9(5) . . . . ?
O10 Si2 O9 C17 174.0(4) . . . . ?
O10 Si2 O4 Mo1 119.7(3) . . . . ?
O10 Si2 O8 C13 40.4(5) . . . . ?
O6 Si1 O7 C9 150.8(5) . . . . ?
O6 Si1 O5 C1 17.5(6) . . . . ?
O6 Si1 O3 Mo1 -133.0(4) . . . . ?
O4 Mo1 O3 Si1 166.9(4) . . . . ?
O4 Si2 O9 C17 53.2(5) . . . . ?
O4 Si2 O10 C21 79.4(5) . . . . ?
O4 Si2 O8 C13 157.2(5) . . . . ?
O15 Si3 O16 C29 156.8(5) . . . . ?
O15 Si3 O17 C33 41.1(6) . . . . ?
O15 Si3 O13 Mo2 107.2(6) . . . . ?
O19 Si4 O20 C45 -68.3(5) . . . . ?
O19 Si4 O18 C37 -162.4(5) . . . . ?
O19 Si4 O14 Mo2 -43.6(4) . . . . ?
O7 Si1 O6 C5 33.7(6) . . . . ?
O7 Si1 O5 C1 141.4(5) . . . . ?
O7 Si1 O3 Mo1 106.4(4) . . . . ?
O16 Si3 O15 C25 35.3(5) . . . . ?
O16 Si3 O17 C33 164.0(5) . . . . ?
O16 Si3 O13 Mo2 -13.0(7) . . . . ?
O20 Si4 O19 C41 -85.9(5) . . . . ?
O20 Si4 O18 C37 -34.2(6) . . . . ?
O20 Si4 O14 Mo2 -166.5(4) . . . . ?
O5 Si1 O6 C5 157.4(5) . . . . ?
O5 Si1 O7 C9 27.0(5) . . . . ?
O5 Si1 O3 Mo1 -13.1(5) . . . . ?
O17 Si3 O15 C25 157.6(5) . . . . ?
O17 Si3 O16 C29 34.0(6) . . . . ?
O17 Si3 O13 Mo2 -132.3(6) . . . . ?
O8 Si2 O9 C17 -62.0(5) . . . . ?
O8 Si2 O10 C21 -168.5(5) . . . . ?
O8 Si2 O4 Mo1 3.5(4) . . . . ?
O18 Si4 O19 C41 38.7(6) . . . . ?
O18 Si4 O20 C45 166.6(5) . . . . ?
O18 Si4 O14 Mo2 74.0(4) . . . . ?
O14 Mo2 O13 Si3 145.7(6) . . . . ?
O14 Si4 O19 C41 156.4(5) . . . . ?
O14 Si4 O20 C45 46.4(6) . . . . ?
O14 Si4 O18 C37 84.7(5) . . . . ?
O3 Mo1 O4 Si2 -70.7(4) . . . . ?
O3 Si1 O6 C5 -85.2(5) . . . . ?
O3 Si1 O7 C9 -90.2(5) . . . . ?
O3 Si1 O5 C1 -100.8(5) . . . . ?
O13 Mo2 O14 Si4 -126.6(4) . . . . ?
O13 Si3 O15 C25 -83.3(5) . . . . ?
O13 Si3 O16 C29 -84.6(6) . . . . ?
O13 Si3 O17 C33 -77.7(6) . . . . ?
O12 Mo2 O14 Si4 113.5(4) . . . . ?
O12 Mo2 O13 Si3 -95.1(6) . . . . ?
O1 Mo1 O4 Si2 52.9(4) . . . . ?
O1 Mo1 O3 Si1 43.2(5) . . . . ?
O11 Mo2 O14 Si4 -5.4(5) . . . . ?
O11 Mo2 O13 Si3 24.5(7) . . . . ?
O2 Mo1 O4 Si2 168.1(3) . . . . ?
O2 Mo1 O3 Si1 -72.9(5) . . . . ?

_olex2_exptl_crystal_mounting_method 'mounted in paratone oil'
_olex2_submission_special_instructions 'No special instructions were received'
