#------------------------------------------------------------------------------
#$Date: 2016-03-25 23:16:28 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180032 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/26/7032653.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_7032653
loop_
_publ_author_name
'Muraoka, Takako'
'Abe, Keisuke'
'Kimura, Haruhiko'
'Haga, Youhei'
'Ueno, Keiji'
'Sunada, Yusuke'
_publ_section_title
;
 Synthesis, structures, and reactivity of the base-stabilized silanone
 molybdenum complexes.
;
_journal_issue                   44
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              16610
_journal_page_last               16613
_journal_paper_doi               10.1039/c4dt02159b
_journal_volume                  43
_journal_year                    2014
_chemical_formula_moiety         'C40 H56 Mo N2 O3 Si2, 0.5(C6 H14)'
_chemical_formula_sum            'C43 H63 Mo N2 O3 Si2'
_chemical_formula_weight         808.07
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                90
_cell_angle_beta                 102.9590(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.8339(11)
_cell_length_b                   21.296(2)
_cell_length_c                   17.1916(17)
_cell_measurement_reflns_used    11901
_cell_measurement_temperature    93(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     4222.2(7)
_computing_cell_refinement       'CrystalClear-SM Expert 2.0 r4'
_computing_data_collection
'CrystalClear-SM Expert 2.0 r4 (Rigaku, 2009)'
_computing_data_reduction        'CrystalClear-SM Expert 2.0 r4'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SIR-92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      93(2)
_diffrn_detector_area_resol_mean 14.222
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku Saturn724+'
_diffrn_measurement_method       ω
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0566
_diffrn_reflns_av_unetI/netI     0.0514
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            34127
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.494
_diffrn_reflns_theta_min         3.037
_diffrn_source                   'Rotating Anode'
_exptl_absorpt_coefficient_mu    0.406
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.827
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.271
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1716
_exptl_crystal_size_max          0.060
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.040
_refine_diff_density_max         0.711
_refine_diff_density_min         -0.617
_refine_diff_density_rms         0.072
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     506
_refine_ls_number_reflns         9672
_refine_ls_number_restraints     76
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.0550
_refine_ls_R_factor_gt           0.0420
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0545P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0989
_refine_ls_wR_factor_ref         0.1064
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7949
_reflns_number_total             9672
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c4dt02159b2.cif
_cod_data_source_block           2a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/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 2827 2014-09-09 07:05:25Z andrius 

 Adding full bibliography for 7032653--7032655.cif.
;
_cod_database_code               7032653
#BEGIN Tags that were not found in dictionaries:
_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.
;
_shelx_estimated_absorpt_t_min   0.976
_shelx_estimated_absorpt_t_max   0.984
_shelxl_version_number           2013-4
#END Tags that were not found in dictionaries
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'
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
Mo1 Mo 0.20240(2) 0.69142(2) 0.18877(2) 0.01958(7) Uani 1 1 d . . . . .
Si1 Si 0.09596(6) 0.60230(3) 0.09769(4) 0.02640(15) Uani 1 1 d . . . . .
Si2 Si 0.50142(5) 0.69199(3) 0.30590(4) 0.01960(14) Uani 1 1 d . . . . .
O1 O 0.32623(14) 0.65617(8) 0.05309(10) 0.0293(4) Uani 1 1 d . . . . .
O2 O 0.17217(15) 0.57082(8) 0.28529(11) 0.0359(4) Uani 1 1 d . . . . .
O3 O 0.37157(13) 0.70659(7) 0.26796(9) 0.0233(3) Uani 1 1 d . . . . .
N1 N 0.54202(16) 0.62614(8) 0.24501(11) 0.0210(4) Uani 1 1 d . . . . .
N2 N 0.59697(17) 0.47001(9) 0.11190(12) 0.0272(4) Uani 1 1 d . . . . .
C1 C 0.28269(19) 0.66690(11) 0.10678(13) 0.0231(5) Uani 1 1 d . . . . .
C2 C 0.1887(2) 0.61493(12) 0.24818(14) 0.0263(5) Uani 1 1 d . . . . .
C3 C 0.0499(2) 0.62094(13) -0.01238(14) 0.0335(6) Uani 1 1 d . . . . .
H3A H -0.0057 0.6557 -0.0204 0.040 Uiso 1 1 calc R U . . .
H3B H 0.0135 0.5838 -0.0413 0.040 Uiso 1 1 calc R U . . .
H3C H 0.1180 0.6329 -0.0325 0.040 Uiso 1 1 calc R U . . .
C4 C -0.0422(2) 0.57016(14) 0.12235(17) 0.0418(7) Uani 1 1 d . . . . .
H4A H -0.0499 0.5255 0.1085 0.050 Uiso 1 1 calc R U . . .
H4B H -0.1093 0.5931 0.0917 0.050 Uiso 1 1 calc R U . . .
H4C H -0.0383 0.5754 0.1795 0.050 Uiso 1 1 calc R U . . .
C5 C 0.1870(2) 0.52913(11) 0.09967(15) 0.0312(5) Uani 1 1 d . . . . .
H5A H 0.2611 0.5402 0.0868 0.037 Uiso 1 1 calc R U . . .
H5B H 0.1458 0.4990 0.0603 0.037 Uiso 1 1 calc R U . . .
H5C H 0.2014 0.5103 0.1530 0.037 Uiso 1 1 calc R U . . .
C6 C 0.60149(19) 0.75895(10) 0.29531(13) 0.0218(5) Uani 1 1 d . . . . .
C7 C 0.6663(2) 0.79266(11) 0.36113(14) 0.0238(5) Uani 1 1 d . . . . .
C8 C 0.7472(2) 0.83721(11) 0.34983(14) 0.0267(5) Uani 1 1 d . . . . .
H8 H 0.7899 0.8594 0.3948 0.032 Uiso 1 1 calc R U . . .
C9 C 0.7676(2) 0.85040(11) 0.27476(15) 0.0261(5) Uani 1 1 d . . . . .
C10 C 0.6972(2) 0.82115(11) 0.20994(14) 0.0249(5) Uani 1 1 d . . . . .
H10 H 0.7062 0.8314 0.1579 0.030 Uiso 1 1 calc R U . . .
C11 C 0.61367(19) 0.77727(10) 0.21792(13) 0.0228(5) Uani 1 1 d . . . . .
C12 C 0.6504(2) 0.78354(12) 0.44526(13) 0.0283(5) Uani 1 1 d . . . . .
H12A H 0.5679 0.7775 0.4440 0.034 Uiso 1 1 calc R U . . .
H12B H 0.6788 0.8207 0.4773 0.034 Uiso 1 1 calc R U . . .
H12C H 0.6940 0.7465 0.4689 0.034 Uiso 1 1 calc R U . . .
C13 C 0.8631(2) 0.89448(12) 0.26367(16) 0.0355(6) Uani 1 1 d . . . . .
H13A H 0.8288 0.9318 0.2343 0.043 Uiso 1 1 calc R U . . .
H13B H 0.9129 0.8731 0.2335 0.043 Uiso 1 1 calc R U . . .
H13C H 0.9095 0.9070 0.3160 0.043 Uiso 1 1 calc R U . . .
C14 C 0.5367(2) 0.75214(11) 0.14156(14) 0.0289(5) Uani 1 1 d . . . . .
H14A H 0.4670 0.7333 0.1535 0.035 Uiso 1 1 calc R U . . .
H14B H 0.5791 0.7202 0.1184 0.035 Uiso 1 1 calc R U . . .
H14C H 0.5144 0.7866 0.1035 0.035 Uiso 1 1 calc R U . . .
C15 C 0.5335(2) 0.64984(10) 0.40580(13) 0.0231(5) Uani 1 1 d . . . . .
C16 C 0.4459(2) 0.63907(11) 0.44901(13) 0.0257(5) Uani 1 1 d . . . . .
C17 C 0.4691(2) 0.59924(11) 0.51569(14) 0.0289(5) Uani 1 1 d . . . . .
H17 H 0.4089 0.5915 0.5429 0.035 Uiso 1 1 calc R U . . .
C18 C 0.5752(2) 0.57084(11) 0.54362(14) 0.0303(6) Uani 1 1 d . . . . .
C19 C 0.6616(2) 0.58370(11) 0.50378(14) 0.0315(6) Uani 1 1 d . . . . .
H19 H 0.7364 0.5661 0.5233 0.038 Uiso 1 1 calc R U . . .
C20 C 0.6433(2) 0.62168(11) 0.43586(14) 0.0273(5) Uani 1 1 d . . . . .
C21 C 0.3297(2) 0.67070(12) 0.43021(14) 0.0316(6) Uani 1 1 d . . . . .
H21A H 0.3073 0.6798 0.3729 0.038 Uiso 1 1 calc R U . . .
H21B H 0.3339 0.7100 0.4604 0.038 Uiso 1 1 calc R U . . .
H21C H 0.2718 0.6429 0.4450 0.038 Uiso 1 1 calc R U . . .
C22 C 0.5945(3) 0.52898(12) 0.61590(15) 0.0396(7) Uani 1 1 d . . . . .
H22A H 0.5987 0.5546 0.6638 0.048 Uiso 1 1 calc R U . . .
H22B H 0.6673 0.5058 0.6206 0.048 Uiso 1 1 calc R U . . .
H22C H 0.5300 0.4992 0.6104 0.048 Uiso 1 1 calc R U . . .
C23 C 0.7466(2) 0.63102(13) 0.39862(16) 0.0353(6) Uani 1 1 d . . . . .
H23A H 0.7403 0.6718 0.3716 0.042 Uiso 1 1 calc R U . . .
H23B H 0.7483 0.5975 0.3598 0.042 Uiso 1 1 calc R U . . .
H23C H 0.8182 0.6298 0.4404 0.042 Uiso 1 1 calc R U . . .
C24 C 0.47094(19) 0.57538(10) 0.23624(13) 0.0224(5) Uani 1 1 d . . . . .
H24 H 0.4061 0.5765 0.2603 0.027 Uiso 1 1 calc R U . . .
C25 C 0.48726(19) 0.52296(11) 0.19494(14) 0.0249(5) Uani 1 1 d . . . . .
H25 H 0.4356 0.4884 0.1920 0.030 Uiso 1 1 calc R U . . .
C26 C 0.58086(19) 0.51974(10) 0.15642(13) 0.0226(5) Uani 1 1 d . . . . .
C27 C 0.6564(2) 0.57209(11) 0.16803(14) 0.0262(5) Uani 1 1 d . . . . .
H27 H 0.7226 0.5722 0.1453 0.031 Uiso 1 1 calc R U . . .
C28 C 0.6350(2) 0.62231(11) 0.21139(14) 0.0250(5) Uani 1 1 d . . . . .
H28 H 0.6879 0.6565 0.2185 0.030 Uiso 1 1 calc R U . . .
C29 C 0.5165(2) 0.41759(12) 0.09947(17) 0.0375(6) Uani 1 1 d . . . . .
H29A H 0.4379 0.4330 0.0770 0.045 Uiso 1 1 calc R U . . .
H29B H 0.5183 0.3968 0.1506 0.045 Uiso 1 1 calc R U . . .
H29C H 0.5389 0.3876 0.0624 0.045 Uiso 1 1 calc R U . . .
C30 C 0.6953(2) 0.46886(12) 0.07398(16) 0.0364(6) Uani 1 1 d . . . . .
H30A H 0.7676 0.4704 0.1150 0.044 Uiso 1 1 calc R U . . .
H30B H 0.6913 0.5052 0.0386 0.044 Uiso 1 1 calc R U . . .
H30C H 0.6931 0.4302 0.0428 0.044 Uiso 1 1 calc R U . . .
C31 C 0.1637(2) 0.78583(12) 0.25338(14) 0.0297(6) Uani 1 1 d . . . . .
C32 C 0.0616(2) 0.74999(12) 0.23978(14) 0.0287(5) Uani 1 1 d . . . . .
C33 C 0.0215(2) 0.74289(12) 0.15547(14) 0.0289(5) Uani 1 1 d . . . . .
C34 C 0.1000(2) 0.77558(12) 0.11682(14) 0.0290(5) Uani 1 1 d . . . . .
C35 C 0.1893(2) 0.80082(11) 0.17767(15) 0.0297(6) Uani 1 1 d . . . . .
C36 C 0.2325(3) 0.81009(12) 0.33152(17) 0.0429(7) Uani 1 1 d . . . . .
H36A H 0.3138 0.7976 0.3382 0.052 Uiso 1 1 calc R U . . .
H36B H 0.2015 0.7926 0.3752 0.052 Uiso 1 1 calc R U . . .
H36C H 0.2272 0.8560 0.3323 0.052 Uiso 1 1 calc R U . . .
C37 C 0.0004(2) 0.72626(14) 0.30163(16) 0.0415(7) Uani 1 1 d . . . . .
H37A H -0.0559 0.7577 0.3105 0.050 Uiso 1 1 calc R U . . .
H37B H 0.0572 0.7185 0.3517 0.050 Uiso 1 1 calc R U . . .
H37C H -0.0402 0.6871 0.2830 0.050 Uiso 1 1 calc R U . . .
C38 C -0.0991(2) 0.72242(15) 0.11524(18) 0.0445(7) Uani 1 1 d . . . . .
H38A H -0.0977 0.7022 0.0643 0.053 Uiso 1 1 calc R U . . .
H38B H -0.1503 0.7591 0.1056 0.053 Uiso 1 1 calc R U . . .
H38C H -0.1280 0.6926 0.1497 0.053 Uiso 1 1 calc R U . . .
C39 C 0.0813(3) 0.78697(14) 0.02929(15) 0.0402(7) Uani 1 1 d . . . . .
H39A H 0.1555 0.7837 0.0132 0.048 Uiso 1 1 calc R U . . .
H39B H 0.0488 0.8291 0.0167 0.048 Uiso 1 1 calc R U . . .
H39C H 0.0272 0.7556 0.0004 0.048 Uiso 1 1 calc R U . . .
C40 C 0.2891(2) 0.84079(13) 0.16701(19) 0.0466(7) Uani 1 1 d . . . . .
H40A H 0.2741 0.8847 0.1784 0.056 Uiso 1 1 calc R U . . .
H40B H 0.2983 0.8371 0.1119 0.056 Uiso 1 1 calc R U . . .
H40C H 0.3603 0.8266 0.2037 0.056 Uiso 1 1 calc R U . . .
C41A C 1.0863(7) 0.5246(3) 0.6875(4) 0.0694(18) Uani 0.690(7) 1 d D U P A 1
H41A H 1.0776 0.5704 0.6860 0.083 Uiso 0.690(7) 1 calc R U P A 1
H41B H 1.1670 0.5137 0.6884 0.083 Uiso 0.690(7) 1 calc R U P A 1
H41C H 1.0650 0.5080 0.7354 0.083 Uiso 0.690(7) 1 calc R U P A 1
C42A C 1.0058(6) 0.4956(3) 0.6121(4) 0.0853(19) Uani 0.690(7) 1 d D U P A 1
H42A H 1.0085 0.4492 0.6161 0.102 Uiso 0.690(7) 1 calc R U P A 1
H42B H 0.9248 0.5092 0.6089 0.102 Uiso 0.690(7) 1 calc R U P A 1
C43A C 1.0429(5) 0.5158(3) 0.5391(3) 0.0822(19) Uani 0.690(7) 1 d D U P A 1
H43A H 1.1238 0.5024 0.5421 0.099 Uiso 0.690(7) 1 calc R U P A 1
H43B H 1.0395 0.5621 0.5347 0.099 Uiso 0.690(7) 1 calc R U P A 1
C41B C 1.084(2) 0.5029(10) 0.6839(8) 0.106(6) Uani 0.310(7) 1 d D U P A 2
H41D H 1.0338 0.5187 0.7180 0.128 Uiso 0.310(7) 1 calc R U P A 2
H41E H 1.1644 0.5142 0.7071 0.128 Uiso 0.310(7) 1 calc R U P A 2
H41F H 1.0767 0.4571 0.6798 0.128 Uiso 0.310(7) 1 calc R U P A 2
C42B C 1.0456(16) 0.5323(6) 0.5995(9) 0.099(3) Uani 0.310(7) 1 d D U P A 2
H42C H 0.9918 0.5676 0.6011 0.118 Uiso 0.310(7) 1 calc R U P A 2
H42D H 1.1143 0.5490 0.5826 0.118 Uiso 0.310(7) 1 calc R U P A 2
C43B C 0.9871(15) 0.4843(6) 0.5410(6) 0.105(3) Uani 0.310(7) 1 d D U P A 2
H43C H 0.9030 0.4815 0.5391 0.126 Uiso 0.310(7) 1 calc R U P A 2
H43D H 1.0230 0.4423 0.5520 0.126 Uiso 0.310(7) 1 calc R U P A 2
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'
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'
Si Si 0.0817 0.0704 '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_3
C1 Mo1 C2 105.52(10) .
C1 Mo1 O3 87.87(8) .
C2 Mo1 O3 88.22(8) .
C1 Mo1 C35 104.07(9) .
C2 Mo1 C35 149.69(9) .
O3 Mo1 C35 86.45(8) .
C1 Mo1 C34 95.83(9) .
C2 Mo1 C34 144.95(9) .
O3 Mo1 C34 120.55(8) .
C35 Mo1 C34 35.11(9) .
C1 Mo1 C33 120.97(9) .
C2 Mo1 C33 109.77(9) .
O3 Mo1 C33 137.72(7) .
C35 Mo1 C33 58.49(9) .
C34 Mo1 C33 35.52(8) .
C1 Mo1 C31 137.75(9) .
C2 Mo1 C31 114.36(10) .
O3 Mo1 C31 80.20(7) .
C35 Mo1 C31 35.35(8) .
C34 Mo1 C31 58.25(8) .
C33 Mo1 C31 57.57(8) .
C1 Mo1 C32 154.03(9) .
C2 Mo1 C32 95.57(9) .
O3 Mo1 C32 108.10(7) .
C35 Mo1 C32 58.22(9) .
C34 Mo1 C32 58.54(8) .
C33 Mo1 C32 34.93(8) .
C31 Mo1 C32 34.07(9) .
C1 Mo1 Si1 67.41(7) .
C2 Mo1 Si1 67.63(7) .
O3 Mo1 Si1 137.59(4) .
C35 Mo1 Si1 131.57(7) .
C34 Mo1 Si1 96.70(7) .
C33 Mo1 Si1 84.39(6) .
C31 Mo1 Si1 140.94(6) .
C32 Mo1 Si1 108.51(6) .
C3 Si1 C5 103.09(12) .
C3 Si1 C4 103.24(12) .
C5 Si1 C4 102.35(12) .
C3 Si1 Mo1 116.22(9) .
C5 Si1 Mo1 113.19(8) .
C4 Si1 Mo1 116.89(9) .
O3 Si2 N1 105.50(9) .
O3 Si2 C6 112.92(9) .
N1 Si2 C6 105.44(9) .
O3 Si2 C15 116.78(10) .
N1 Si2 C15 97.30(9) .
C6 Si2 C15 116.21(10) .
Si2 O3 Mo1 155.91(10) .
C28 N1 C24 116.54(19) .
C28 N1 Si2 128.10(15) .
C24 N1 Si2 115.31(15) .
C26 N2 C29 121.1(2) .
C26 N2 C30 119.8(2) .
C29 N2 C30 119.02(19) .
O1 C1 Mo1 174.2(2) .
O2 C2 Mo1 174.4(2) .
C7 C6 C11 117.3(2) .
C7 C6 Si2 123.10(17) .
C11 C6 Si2 119.59(16) .
C8 C7 C6 120.1(2) .
C8 C7 C12 117.3(2) .
C6 C7 C12 122.6(2) .
C7 C8 C9 122.3(2) .
C10 C9 C8 117.2(2) .
C10 C9 C13 120.7(2) .
C8 C9 C13 122.1(2) .
C9 C10 C11 122.5(2) .
C10 C11 C6 120.0(2) .
C10 C11 C14 117.0(2) .
C6 C11 C14 123.0(2) .
C20 C15 C16 117.2(2) .
C20 C15 Si2 120.65(17) .
C16 C15 Si2 121.83(17) .
C17 C16 C15 119.5(2) .
C17 C16 C21 116.7(2) .
C15 C16 C21 123.7(2) .
C18 C17 C16 123.1(2) .
C17 C18 C19 117.3(2) .
C17 C18 C22 120.3(2) .
C19 C18 C22 122.4(2) .
C18 C19 C20 122.4(2) .
C19 C20 C15 120.4(2) .
C19 C20 C23 116.1(2) .
C15 C20 C23 123.4(2) .
N1 C24 C25 123.7(2) .
C24 C25 C26 120.2(2) .
N2 C26 C25 122.0(2) .
N2 C26 C27 122.4(2) .
C25 C26 C27 115.6(2) .
C28 C27 C26 120.5(2) .
N1 C28 C27 123.4(2) .
C32 C31 C35 108.6(2) .
C32 C31 C36 127.7(2) .
C35 C31 C36 123.6(3) .
C32 C31 Mo1 73.30(14) .
C35 C31 Mo1 70.40(13) .
C36 C31 Mo1 125.76(17) .
C31 C32 C33 107.7(2) .
C31 C32 C37 126.8(2) .
C33 C32 C37 125.4(2) .
C31 C32 Mo1 72.63(13) .
C33 C32 Mo1 70.98(13) .
C37 C32 Mo1 124.65(17) .
C32 C33 C34 108.4(2) .
C32 C33 C38 124.2(2) .
C34 C33 C38 124.9(2) .
C32 C33 Mo1 74.09(13) .
C34 C33 Mo1 72.05(13) .
C38 C33 Mo1 133.86(18) .
C35 C34 C33 107.2(2) .
C35 C34 C39 127.0(2) .
C33 C34 C39 125.5(2) .
C35 C34 Mo1 71.92(13) .
C33 C34 Mo1 72.43(13) .
C39 C34 Mo1 126.64(18) .
C34 C35 C31 108.1(2) .
C34 C35 C40 127.1(2) .
C31 C35 C40 124.6(2) .
C34 C35 Mo1 72.97(14) .
C31 C35 Mo1 74.25(14) .
C40 C35 Mo1 122.36(17) .
C43A C42A C41A 110.4(6) .
C42A C43A C43A 109.3(6) 3_766
C43B C42B C41B 110.4(9) .
C42B C43B C43B 98.8(13) 3_766
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mo1 C1 1.940(2) .
Mo1 C2 1.948(2) .
Mo1 O3 2.1780(15) .
Mo1 C35 2.340(2) .
Mo1 C34 2.354(2) .
Mo1 C33 2.358(2) .
Mo1 C31 2.391(2) .
Mo1 C32 2.399(2) .
Mo1 Si1 2.5991(7) .
Si1 C3 1.890(3) .
Si1 C5 1.890(3) .
Si1 C4 1.906(3) .
Si2 O3 1.5600(16) .
Si2 N1 1.8759(19) .
Si2 C6 1.888(2) .
Si2 C15 1.899(2) .
O1 C1 1.176(3) .
O2 C2 1.176(3) .
N1 C28 1.355(3) .
N1 C24 1.357(3) .
N2 C26 1.345(3) .
N2 C29 1.452(3) .
N2 C30 1.456(3) .
C6 C7 1.412(3) .
C6 C11 1.425(3) .
C7 C8 1.392(3) .
C7 C12 1.512(3) .
C8 C9 1.394(3) .
C9 C10 1.381(3) .
C9 C13 1.514(3) .
C10 C11 1.389(3) .
C11 C14 1.517(3) .
C15 C20 1.420(3) .
C15 C16 1.422(3) .
C16 C17 1.403(3) .
C16 C21 1.501(3) .
C17 C18 1.379(4) .
C18 C19 1.380(4) .
C18 C22 1.504(3) .
C19 C20 1.397(3) .
C20 C23 1.515(3) .
C24 C25 1.360(3) .
C25 C26 1.414(3) .
C26 C27 1.415(3) .
C27 C28 1.359(3) .
C31 C32 1.403(4) .
C31 C35 1.437(3) .
C31 C36 1.498(3) .
C32 C33 1.429(3) .
C32 C37 1.502(3) .
C33 C34 1.437(3) .
C33 C38 1.504(3) .
C34 C35 1.416(4) .
C34 C39 1.491(3) .
C35 C40 1.501(4) .
C41A C42A 1.553(8) .
C42A C43A 1.483(7) .
C43A C43A 1.636(10) 3_766
C41B C42B 1.551(10) .
C42B C43B 1.491(10) .
C43B C43B 1.649(13) 3_766
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
C30 H30C O1 0.98 2.45 3.417(3) 170.9 3_665
