# Supplementary Information (SI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# 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 
# this file and to allow appropriate attribution of the data. 
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data_rm_2-113-final
_database_code_depnum_ccdc_archive 'CCDC 2486403'
loop_
_audit_author_name
_audit_author_address
'Bruno Donnadieu'
;Mississippi State University
United States of America
;
_audit_update_record             
;
2025-09-07 deposited with the CCDC.	2026-02-19 downloaded from the CCDC.
;
_audit_creation_date             2025-03-27
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        (TMS-TREN)MoCH
_chemical_formula_moiety         '2(C16 H40 Mo N4 Si3)'
_chemical_formula_sum            'C32 H80 Mo2 N8 Si6'
_chemical_formula_weight         937.46
_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'
N N 0.0061 0.0033 '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      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   16.8581(17)
_cell_length_b                   16.8406(17)
_cell_length_c                   34.208(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     9711.8(17)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    9179
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.36
_cell_measurement_theta_min      2.42
_shelx_estimated_absorpt_T_max   0.787
_shelx_estimated_absorpt_T_min   0.721
_exptl_absorpt_coefficient_mu    0.695
_exptl_absorpt_correction_T_max  0.787
_exptl_absorpt_correction_T_min  0.721
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   Sadabs
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.282
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3968
_exptl_crystal_size_max          0.504
_exptl_crystal_size_mid          0.456
_exptl_crystal_size_min          0.363
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0827
_diffrn_reflns_av_unetI/netI     0.0291
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       48
_diffrn_reflns_limit_l_min       -48
_diffrn_reflns_number            397235
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.529
_diffrn_reflns_theta_min         1.810
_diffrn_ambient_temperature      100.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker D8 Venture'
_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                12741
_reflns_number_total             14811
_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       'APEX6 v2024.9.0'
_computing_data_collection       'APEX6 v2024.9.0'
_computing_data_reduction        'Saint, APEX6 v2024.9.0.'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    SHELXT
_refine_diff_density_max         2.461
_refine_diff_density_min         -0.820
_refine_diff_density_rms         0.156
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     528
_refine_ls_number_reflns         14811
_refine_ls_number_restraints     27
_refine_ls_R_factor_all          0.0457
_refine_ls_R_factor_gt           0.0346
_refine_ls_restrained_S_all      1.063
_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)+(0.0315P)²+13.0914P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0797
_refine_ls_wR_factor_ref         0.0852
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
C23B \\sim C24B \\sim C25B: within 2A with sigma of 0.04 and sigma for terminal
atoms of 0.08 within 2A
Uanis(C23B) \\sim Ueq, Uanis(C24B) \\sim Ueq, Uanis(C25B) \\sim Ueq: with sigma
of 0.05 and sigma for terminal atoms of 0.05
Uanis(C22A) = Uanis(C22B)
Uanis(C12A) = Uanis(C12B)
Uanis(C32A) = Uanis(C32B)
3. Rigid body (RIGU) restrains
 C23B, C24B, C25B
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
4. Same fragment restrains
{C21A, C22A} sigma for 1-2: 0.02, 1-3: 0.04
as in
{C21B, C22B}
{C11A, C12A} sigma for 1-2: 0.02, 1-3: 0.04
as in
{C11B, C12B}
{C23A, C24A, C25A, Si2A} sigma for 1-2: 0.02, 1-3: 0.04
as in
{C23B, C24B, C25B, Si2B}
{C31A, C32A} sigma for 1-2: 0.02, 1-3: 0.04
as in
{C31B, C32B}
5. Others
 Sof(C21B)=Sof(H21C)=Sof(H21D)=Sof(C22B)=Sof(H22C)=Sof(H22D)=Sof(C31B)=
 Sof(H31C)=Sof(H31D)=Sof(C32B)=Sof(H32C)=Sof(H32D)=Sof(C11B)=Sof(H11C)=
 Sof(H11D)=Sof(C12B)=Sof(H12C)=Sof(H12D)=1-FVAR(1)
 Sof(C21A)=Sof(H21A)=Sof(H21B)=Sof(C22A)=Sof(H22A)=Sof(H22B)=Sof(C31A)=
 Sof(H31A)=Sof(H31B)=Sof(C32A)=Sof(H32A)=Sof(H32B)=Sof(C11A)=Sof(H11A)=
 Sof(H11B)=Sof(C12A)=Sof(H12A)=Sof(H12B)=FVAR(1)
 Sof(C23B)=Sof(H23D)=Sof(H23E)=Sof(H23F)=Sof(C24B)=Sof(H24D)=Sof(H24E)=
 Sof(H24F)=Sof(C25B)=Sof(H25D)=Sof(H25E)=Sof(H25F)=Sof(Si2B)=1-FVAR(2)
 Sof(C23A)=Sof(H23A)=Sof(H23B)=Sof(H23C)=Sof(C24A)=Sof(H24A)=Sof(H24B)=
 Sof(H24C)=Sof(C25A)=Sof(H25A)=Sof(H25B)=Sof(H25C)=Sof(Si2A)=FVAR(2)
6.a Secondary CH2 refined with riding coordinates:
 C21A(H21A,H21B), C22A(H22A,H22B), C31A(H31A,H31B), C32A(H32A,H32B), C11A(H11A,
 H11B), C12A(H12A,H12B), C21B(H21C,H21D), C22B(H22C,H22D), C31B(H31C,H31D),
 C32B(H32C,H32D), C11B(H11C,H11D), C12B(H12C,H12D), C21(H21E,H21F), C22(H22E,
 H22F), C31(H31E,H31F), C32(H32E,H32F), C11(H11E,H11F), C12(H12E,H12F)
6.b Idealised Me refined as rotating group:
 C24(H24G,H24H,H24I), C23(H23G,H23H,H23I), C25(H25G,H25H,H25I), C23A(H23A,H23B,
 H23C), C24A(H24A,H24B,H24C), C25A(H25A,H25B,H25C), C23B(H23D,H23E,H23F),
 C24B(H24D,H24E,H24F), C25B(H25D,H25E,H25F), C33(H33D,H33E,H33F), C33A(H33A,
 H33B,H33C), C34(H34D,H34E,H34F), C34A(H34A,H34B,H34C), C35(H35D,H35E,H35F),
 C35A(H35A,H35B,H35C), C13(H13D,H13E,H13F), C13A(H13A,H13B,H13C), C14(H14D,H14E,
 H14F), C14A(H14A,H14B,H14C), C15(H15D,H15F,H15E), C15A(H15A,H15B,H15C)
6.c :
 C1(H1), C1A(H1A)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_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
Mo1A Mo 0.30795(2) 0.36168(2) 0.21857(2) 0.01618(4) Uani 1 1 d . . . . .
C21A C 0.46416(15) 0.30401(17) 0.18305(8) 0.0290(6) Uani 0.822(4) 1 d D . P A 1
H21A H 0.495166 0.280018 0.161499 0.035 Uiso 0.822(4) 1 calc R U P A 1
H21B H 0.489208 0.288526 0.208095 0.035 Uiso 0.822(4) 1 calc R U P A 1
C22A C 0.4648(5) 0.3934(5) 0.1791(3) 0.0273(11) Uani 0.822(4) 1 d D . P A 1
H22A H 0.517216 0.414368 0.187126 0.033 Uiso 0.822(4) 1 calc R U P A 1
H22B H 0.455740 0.408333 0.151480 0.033 Uiso 0.822(4) 1 calc R U P A 1
C31A C 0.37381(18) 0.19624(15) 0.20123(8) 0.0271(6) Uani 0.822(4) 1 d D . P A 1
H31A H 0.418409 0.161304 0.193572 0.032 Uiso 0.822(4) 1 calc R U P A 1
H31B H 0.323719 0.170622 0.192916 0.032 Uiso 0.822(4) 1 calc R U P A 1
C32A C 0.3737(9) 0.2075(10) 0.2454(3) 0.0284(8) Uani 0.822(4) 1 d D . P A 1
H32A H 0.355092 0.158094 0.258104 0.034 Uiso 0.822(4) 1 calc R U P A 1
H32B H 0.428401 0.218156 0.254447 0.034 Uiso 0.822(4) 1 calc R U P A 1
C11A C 0.34696(16) 0.27584(16) 0.14261(7) 0.0259(6) Uani 0.822(4) 1 d D . P A 1
H11A H 0.361953 0.227099 0.128215 0.031 Uiso 0.822(4) 1 calc R U P A 1
H11B H 0.367381 0.322186 0.127918 0.031 Uiso 0.822(4) 1 calc R U P A 1
C12A C 0.2578(6) 0.2810(9) 0.1458(5) 0.0254(6) Uani 0.822(4) 1 d D . P A 1
H12A H 0.235498 0.296071 0.120068 0.031 Uiso 0.822(4) 1 calc R U P A 1
H12B H 0.236395 0.228149 0.152812 0.031 Uiso 0.822(4) 1 calc R U P A 1
C21B C 0.4330(7) 0.3252(7) 0.1549(3) 0.025(3) Uani 0.178(4) 1 d D . P A 2
H21C H 0.481240 0.296318 0.146501 0.030 Uiso 0.178(4) 1 calc R U P A 2
H21D H 0.402959 0.342339 0.131542 0.030 Uiso 0.178(4) 1 calc R U P A 2
C22B C 0.454(3) 0.395(2) 0.1808(17) 0.0273(11) Uani 0.178(4) 1 d D . P A 2
H22C H 0.498834 0.378324 0.197349 0.033 Uiso 0.178(4) 1 calc R U P A 2
H22D H 0.474121 0.437476 0.163318 0.033 Uiso 0.178(4) 1 calc R U P A 2
C31B C 0.4273(9) 0.2282(8) 0.2091(4) 0.033(3) Uani 0.178(4) 1 d D . P A 2
H31C H 0.472999 0.259596 0.218608 0.039 Uiso 0.178(4) 1 calc R U P A 2
H31D H 0.447988 0.179972 0.195999 0.039 Uiso 0.178(4) 1 calc R U P A 2
C32B C 0.375(4) 0.205(5) 0.2433(13) 0.0284(8) Uani 0.178(4) 1 d D . P A 2
H32C H 0.408408 0.186949 0.265387 0.034 Uiso 0.178(4) 1 calc R U P A 2
H32D H 0.340674 0.159341 0.235525 0.034 Uiso 0.178(4) 1 calc R U P A 2
C11B C 0.3230(8) 0.2279(7) 0.1583(4) 0.027(3) Uani 0.178(4) 1 d D . P A 2
H11C H 0.302036 0.183679 0.174268 0.033 Uiso 0.178(4) 1 calc R U P A 2
H11D H 0.349697 0.204889 0.135123 0.033 Uiso 0.178(4) 1 calc R U P A 2
C12B C 0.255(3) 0.280(4) 0.145(2) 0.0254(6) Uani 0.178(4) 1 d D . P A 2
H12C H 0.270389 0.308116 0.120731 0.031 Uiso 0.178(4) 1 calc R U P A 2
H12D H 0.208450 0.246355 0.139025 0.031 Uiso 0.178(4) 1 calc R U P A 2
N4A N 0.38203(10) 0.27434(10) 0.18182(5) 0.0213(3) Uani 1 1 d . . . . .
C21 C 0.04319(12) 0.52724(12) 0.43046(6) 0.0224(4) Uani 1 1 d . . . . .
H21E H 0.014552 0.506885 0.453651 0.027 Uiso 1 1 calc R U . . .
H21F H 0.012825 0.512110 0.406833 0.027 Uiso 1 1 calc R U . . .
C22 C 0.04992(12) 0.61695(12) 0.43282(6) 0.0219(4) Uani 1 1 d . . . . .
H22E H 0.066274 0.638242 0.407080 0.026 Uiso 1 1 calc R U . . .
H22F H -0.002452 0.639889 0.439440 0.026 Uiso 1 1 calc R U . . .
C24 C 0.10653(14) 0.73303(13) 0.53726(6) 0.0264(4) Uani 1 1 d . . . . .
H24G H 0.067021 0.695501 0.547276 0.040 Uiso 1 1 calc R U . . .
H24H H 0.095633 0.786106 0.547704 0.040 Uiso 1 1 calc R U . . .
H24I H 0.159623 0.716067 0.545411 0.040 Uiso 1 1 calc R U . . .
C23 C 0.00317(14) 0.78068(13) 0.46977(7) 0.0302(5) Uani 1 1 d . . . . .
H23G H -0.001277 0.784976 0.441281 0.045 Uiso 1 1 calc R U . . .
H23H H -0.000938 0.833641 0.481462 0.045 Uiso 1 1 calc R U . . .
H23I H -0.039621 0.746929 0.479760 0.045 Uiso 1 1 calc R U . . .
C25 C 0.17998(14) 0.80207(13) 0.46254(7) 0.0291(4) Uani 1 1 d . . . . .
H25G H 0.232241 0.782723 0.470707 0.044 Uiso 1 1 calc R U . . .
H25H H 0.172091 0.856163 0.472361 0.044 Uiso 1 1 calc R U . . .
H25I H 0.176868 0.802176 0.433934 0.044 Uiso 1 1 calc R U . . .
C23A C 0.5016(3) 0.5698(3) 0.19049(18) 0.0717(19) Uani 0.805(8) 1 d D . P A 1
H23A H 0.504887 0.627118 0.195068 0.108 Uiso 0.805(8) 1 calc R U P A 1
H23B H 0.497762 0.559574 0.162349 0.108 Uiso 0.805(8) 1 calc R U P A 1
H23C H 0.549169 0.543905 0.200913 0.108 Uiso 0.805(8) 1 calc R U P A 1
C24A C 0.4236(3) 0.5459(2) 0.26842(10) 0.0474(11) Uani 0.805(8) 1 d D . P A 1
H24A H 0.376500 0.526512 0.282188 0.071 Uiso 0.805(8) 1 calc R U P A 1
H24B H 0.430137 0.602865 0.273413 0.071 Uiso 0.805(8) 1 calc R U P A 1
H24C H 0.470565 0.517346 0.277792 0.071 Uiso 0.805(8) 1 calc R U P A 1
C25A C 0.3276(3) 0.5896(2) 0.19727(15) 0.0561(13) Uani 0.805(8) 1 d D . P A 1
H25A H 0.338418 0.645935 0.201927 0.084 Uiso 0.805(8) 1 calc R U P A 1
H25B H 0.278972 0.574199 0.211046 0.084 Uiso 0.805(8) 1 calc R U P A 1
H25C H 0.320830 0.580417 0.169169 0.084 Uiso 0.805(8) 1 calc R U P A 1
Si2A Si 0.41184(14) 0.52917(16) 0.21555(4) 0.0219(5) Uani 0.805(8) 1 d D . P A
1
C23B C 0.4458(18) 0.5874(9) 0.1745(4) 0.069(7) Uani 0.195(8) 1 d D U P A 2
H23D H 0.447156 0.644378 0.180356 0.103 Uiso 0.195(8) 1 calc R U P A 2
H23E H 0.411289 0.577933 0.151963 0.103 Uiso 0.195(8) 1 calc R U P A 2
H23F H 0.499595 0.568885 0.168544 0.103 Uiso 0.195(8) 1 calc R U P A 2
C24B C 0.4798(13) 0.5411(9) 0.2579(5) 0.055(6) Uani 0.195(8) 1 d D U P A 2
H24D H 0.532278 0.524538 0.248699 0.083 Uiso 0.195(8) 1 calc R U P A 2
H24E H 0.463251 0.506824 0.279607 0.083 Uiso 0.195(8) 1 calc R U P A 2
H24F H 0.482224 0.596298 0.266922 0.083 Uiso 0.195(8) 1 calc R U P A 2
C25B C 0.3159(9) 0.5870(10) 0.2339(10) 0.095(11) Uani 0.195(8) 1 d D U P A 2
H25D H 0.331201 0.637790 0.245674 0.143 Uiso 0.195(8) 1 calc R U P A 2
H25E H 0.287569 0.554790 0.253199 0.143 Uiso 0.195(8) 1 calc R U P A 2
H25F H 0.281337 0.596820 0.211354 0.143 Uiso 0.195(8) 1 calc R U P A 2
Si2B Si 0.4071(8) 0.5328(8) 0.2174(3) 0.047(3) Uani 0.195(8) 1 d D . P A 2
C31 C 0.12636(13) 0.41075(12) 0.44449(6) 0.0221(4) Uani 1 1 d . . . . .
H31E H 0.174753 0.383725 0.434915 0.027 Uiso 1 1 calc R U . . .
H31F H 0.079666 0.380264 0.435389 0.027 Uiso 1 1 calc R U . . .
C32 C 0.12716(12) 0.41363(12) 0.48890(6) 0.0219(4) Uani 1 1 d . . . . .
H32E H 0.073516 0.427265 0.498574 0.026 Uiso 1 1 calc R U . . .
H32F H 0.141394 0.360675 0.499323 0.026 Uiso 1 1 calc R U . . .
C33 C 0.18124(14) 0.53732(15) 0.58487(6) 0.0293(5) Uani 1 1 d . . . . .
H33D H 0.199058 0.590558 0.577346 0.044 Uiso 1 1 calc R U . . .
H33E H 0.199331 0.525566 0.611476 0.044 Uiso 1 1 calc R U . . .
H33F H 0.123179 0.535046 0.583937 0.044 Uiso 1 1 calc R U . . .
C33A C 0.3015(2) 0.1745(2) 0.32783(10) 0.0727(13) Uani 1 1 d . . . . .
H33A H 0.270865 0.136368 0.312318 0.109 Uiso 1 1 calc R U . . .
H33B H 0.281057 0.175483 0.354656 0.109 Uiso 1 1 calc R U . . .
H33C H 0.357397 0.158702 0.328105 0.109 Uiso 1 1 calc R U . . .
C34 C 0.33385(13) 0.46941(15) 0.55165(6) 0.0288(4) Uani 1 1 d . . . . .
H34D H 0.356459 0.434994 0.531417 0.043 Uiso 1 1 calc R U . . .
H34E H 0.353002 0.452423 0.577374 0.043 Uiso 1 1 calc R U . . .
H34F H 0.350083 0.524447 0.546890 0.043 Uiso 1 1 calc R U . . .
C34A C 0.3552(2) 0.3451(3) 0.33414(8) 0.0628(10) Uani 1 1 d . . . . .
H34A H 0.410896 0.328983 0.331927 0.094 Uiso 1 1 calc R U . . .
H34B H 0.339224 0.344200 0.361674 0.094 Uiso 1 1 calc R U . . .
H34C H 0.348869 0.398972 0.323741 0.094 Uiso 1 1 calc R U . . .
C35 C 0.19798(15) 0.36154(15) 0.56975(7) 0.0332(5) Uani 1 1 d . . . . .
H35D H 0.140202 0.355964 0.571263 0.050 Uiso 1 1 calc R U . . .
H35E H 0.220923 0.355137 0.595879 0.050 Uiso 1 1 calc R U . . .
H35F H 0.219514 0.320783 0.552267 0.050 Uiso 1 1 calc R U . . .
C35A C 0.18621(17) 0.3033(2) 0.31311(8) 0.0542(9) Uani 1 1 d . . . . .
H35A H 0.178547 0.358948 0.305668 0.081 Uiso 1 1 calc R U . . .
H35B H 0.171957 0.296237 0.340667 0.081 Uiso 1 1 calc R U . . .
H35C H 0.152428 0.269365 0.296838 0.081 Uiso 1 1 calc R U . . .
Si1 Si 0.37193(3) 0.59075(3) 0.42237(2) 0.02230(11) Uani 1 1 d . . . . .
Si1A Si 0.13527(4) 0.37548(4) 0.17364(2) 0.02542(12) Uani 1 1 d . . . . .
C1 C 0.26304(12) 0.62754(12) 0.50197(6) 0.0235(4) Uani 1 1 d . . . . .
H1 H 0.295302 0.658480 0.518899 0.028 Uiso 1 1 calc R U . . .
C1A C 0.24985(14) 0.43389(16) 0.24905(8) 0.0385(6) Uani 1 1 d . . . . .
H1A H 0.220449 0.470423 0.264468 0.046 Uiso 1 1 calc R U . . .
N1 N 0.27371(10) 0.55640(10) 0.42410(5) 0.0192(3) Uani 1 1 d . . . . .
N1A N 0.23273(10) 0.33966(11) 0.17545(5) 0.0228(3) Uani 1 1 d . . . . .
N2 N 0.10858(9) 0.64037(9) 0.46279(5) 0.0178(3) Uani 1 1 d . . . . .
N2A N 0.40095(11) 0.42920(11) 0.20439(5) 0.0256(4) Uani 1 1 d . . . . .
N3 N 0.18486(10) 0.47322(10) 0.50312(5) 0.0188(3) Uani 1 1 d . . . . .
N3A N 0.32191(11) 0.27371(10) 0.25692(5) 0.0242(3) Uani 1 1 d . . . . .
Si2 Si 0.10142(3) 0.73571(3) 0.48276(2) 0.01851(10) Uani 1 1 d . . . . .
Si3 Si 0.22347(3) 0.46252(3) 0.55027(2) 0.02046(11) Uani 1 1 d . . . . .
Si3A Si 0.29203(4) 0.27533(4) 0.30581(2) 0.02754(13) Uani 1 1 d . . . . .
Mo1 Mo 0.20184(2) 0.56884(2) 0.46986(2) 0.01425(4) Uani 1 1 d . . . . .
N4 N 0.12308(9) 0.49219(9) 0.42879(4) 0.0174(3) Uani 1 1 d . . . . .
C11 C 0.15910(12) 0.49851(12) 0.38952(5) 0.0220(4) Uani 1 1 d . . . . .
H11E H 0.140823 0.547790 0.376560 0.026 Uiso 1 1 calc R U . . .
H11F H 0.142658 0.452756 0.373259 0.026 Uiso 1 1 calc R U . . .
C12 C 0.24878(12) 0.49967(13) 0.39354(6) 0.0223(4) Uani 1 1 d . . . . .
H12E H 0.267882 0.445830 0.400352 0.027 Uiso 1 1 calc R U . . .
H12F H 0.272919 0.514951 0.368256 0.027 Uiso 1 1 calc R U . . .
C13 C 0.41460(16) 0.57387(18) 0.37250(8) 0.0440(7) Uani 1 1 d . . . . .
H13D H 0.414627 0.516883 0.366694 0.066 Uiso 1 1 calc R U . . .
H13E H 0.469100 0.594047 0.371683 0.066 Uiso 1 1 calc R U . . .
H13F H 0.382394 0.601845 0.353027 0.066 Uiso 1 1 calc R U . . .
C13A C 0.07516(14) 0.33880(17) 0.21591(7) 0.0356(5) Uani 1 1 d . . . . .
H13A H 0.077214 0.280669 0.216743 0.053 Uiso 1 1 calc R U . . .
H13B H 0.020002 0.356086 0.212845 0.053 Uiso 1 1 calc R U . . .
H13C H 0.096779 0.360429 0.240275 0.053 Uiso 1 1 calc R U . . .
C14 C 0.37780(14) 0.69988(13) 0.43056(7) 0.0317(5) Uani 1 1 d . . . . .
H14D H 0.342134 0.727097 0.412338 0.048 Uiso 1 1 calc R U . . .
H14E H 0.432347 0.717941 0.426186 0.048 Uiso 1 1 calc R U . . .
H14F H 0.362026 0.712042 0.457477 0.048 Uiso 1 1 calc R U . . .
C14A C 0.13175(15) 0.48612(15) 0.17249(8) 0.0371(5) Uani 1 1 d . . . . .
H14A H 0.145640 0.507086 0.198321 0.056 Uiso 1 1 calc R U . . .
H14B H 0.078129 0.503521 0.165479 0.056 Uiso 1 1 calc R U . . .
H14C H 0.169621 0.505908 0.153060 0.056 Uiso 1 1 calc R U . . .
C15 C 0.43633(14) 0.53732(16) 0.45790(8) 0.0380(6) Uani 1 1 d . . . . .
H15D H 0.418667 0.549050 0.484577 0.057 Uiso 1 1 calc R U . . .
H15F H 0.491395 0.554746 0.454642 0.057 Uiso 1 1 calc R U . . .
H15E H 0.432820 0.480023 0.453190 0.057 Uiso 1 1 calc R U . . .
C15A C 0.08675(16) 0.3400(2) 0.12757(8) 0.0451(7) Uani 1 1 d . . . . .
H15A H 0.118469 0.356707 0.105002 0.068 Uiso 1 1 calc R U . . .
H15B H 0.033450 0.362914 0.125587 0.068 Uiso 1 1 calc R U . . .
H15C H 0.082965 0.281986 0.128009 0.068 Uiso 1 1 calc R U . . .


_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
Mo1A N4A 2.3031(17) . ?
Mo1A C1A 1.877(3) . ?
Mo1A N1A 1.9804(16) . ?
Mo1A N2A 1.9967(18) . ?
Mo1A N3A 1.9928(17) . ?
C21A H21A 0.9900 . ?
C21A H21B 0.9900 . ?
C21A C22A 1.512(9) . ?
C21A N4A 1.473(3) . ?
C22A H22A 0.9900 . ?
C22A H22B 0.9900 . ?
C22A N2A 1.506(7) . ?
C31A H31A 0.9900 . ?
C31A H31B 0.9900 . ?
C31A C32A 1.522(10) . ?
C31A N4A 1.480(3) . ?
C32A H32A 0.9900 . ?
C32A H32B 0.9900 . ?
C32A N3A 1.470(17) . ?
C11A H11A 0.9900 . ?
C11A H11B 0.9900 . ?
C11A C12A 1.509(10) . ?
C11A N4A 1.466(3) . ?
C12A H12A 0.9900 . ?
C12A H12B 0.9900 . ?
C12A N1A 1.478(18) . ?
C21B H21C 0.9900 . ?
C21B H21D 0.9900 . ?
C21B C22B 1.514(19) . ?
C21B N4A 1.523(12) . ?
C22B H22C 0.9900 . ?
C22B H22D 0.9900 . ?
C22B N2A 1.33(4) . ?
C31B H31C 0.9900 . ?
C31B H31D 0.9900 . ?
C31B C32B 1.52(2) . ?
C31B N4A 1.434(12) . ?
C32B H32C 0.9900 . ?
C32B H32D 0.9900 . ?
C32B N3A 1.54(8) . ?
C11B H11C 0.9900 . ?
C11B H11D 0.9900 . ?
C11B C12B 1.51(2) . ?
C11B N4A 1.500(13) . ?
C12B H12C 0.9900 . ?
C12B H12D 0.9900 . ?
C12B N1A 1.49(8) . ?
C21 H21E 0.9900 . ?
C21 H21F 0.9900 . ?
C21 C22 1.517(3) . ?
C21 N4 1.471(2) . ?
C22 H22E 0.9900 . ?
C22 H22F 0.9900 . ?
C22 N2 1.478(2) . ?
C24 H24G 0.9800 . ?
C24 H24H 0.9800 . ?
C24 H24I 0.9800 . ?
C24 Si2 1.867(2) . ?
C23 H23G 0.9800 . ?
C23 H23H 0.9800 . ?
C23 H23I 0.9800 . ?
C23 Si2 1.875(2) . ?
C25 H25G 0.9800 . ?
C25 H25H 0.9800 . ?
C25 H25I 0.9800 . ?
C25 Si2 1.866(2) . ?
C23A H23A 0.9800 . ?
C23A H23B 0.9800 . ?
C23A H23C 0.9800 . ?
C23A Si2A 1.868(4) . ?
C24A H24A 0.9800 . ?
C24A H24B 0.9800 . ?
C24A H24C 0.9800 . ?
C24A Si2A 1.841(3) . ?
C25A H25A 0.9800 . ?
C25A H25B 0.9800 . ?
C25A H25C 0.9800 . ?
C25A Si2A 1.856(4) . ?
Si2A N2A 1.736(3) . ?
C23B H23D 0.9800 . ?
C23B H23E 0.9800 . ?
C23B H23F 0.9800 . ?
C23B Si2B 1.849(14) . ?
C24B H24D 0.9800 . ?
C24B H24E 0.9800 . ?
C24B H24F 0.9800 . ?
C24B Si2B 1.856(14) . ?
C25B H25D 0.9800 . ?
C25B H25E 0.9800 . ?
C25B H25F 0.9800 . ?
C25B Si2B 1.875(14) . ?
Si2B N2A 1.803(14) . ?
C31 H31E 0.9900 . ?
C31 H31F 0.9900 . ?
C31 C32 1.520(3) . ?
C31 N4 1.474(2) . ?
C32 H32E 0.9900 . ?
C32 H32F 0.9900 . ?
C32 N3 1.480(2) . ?
C33 H33D 0.9800 . ?
C33 H33E 0.9800 . ?
C33 H33F 0.9800 . ?
C33 Si3 1.870(2) . ?
C33A H33A 0.9800 . ?
C33A H33B 0.9800 . ?
C33A H33C 0.9800 . ?
C33A Si3A 1.864(3) . ?
C34 H34D 0.9800 . ?
C34 H34E 0.9800 . ?
C34 H34F 0.9800 . ?
C34 Si3 1.865(2) . ?
C34A H34A 0.9800 . ?
C34A H34B 0.9800 . ?
C34A H34C 0.9800 . ?
C34A Si3A 1.859(3) . ?
C35 H35D 0.9800 . ?
C35 H35E 0.9800 . ?
C35 H35F 0.9800 . ?
C35 Si3 1.876(2) . ?
C35A H35A 0.9800 . ?
C35A H35B 0.9800 . ?
C35A H35C 0.9800 . ?
C35A Si3A 1.862(3) . ?
Si1 N1 1.7550(17) . ?
Si1 C13 1.873(2) . ?
Si1 C14 1.862(2) . ?
Si1 C15 1.862(2) . ?
Si1A N1A 1.7512(18) . ?
Si1A C13A 1.871(2) . ?
Si1A C14A 1.865(3) . ?
Si1A C15A 1.873(2) . ?
C1 H1 0.9500 . ?
C1 Mo1 1.802(2) . ?
C1A H1A 0.9500 . ?
N1 Mo1 1.9907(16) . ?
N1 C12 1.477(2) . ?
N2 Si2 1.7492(17) . ?
N2 Mo1 1.9953(16) . ?
N3 Si3 1.7486(17) . ?
N3 Mo1 1.9923(16) . ?
N3A Si3A 1.7470(18) . ?
Mo1 N4 2.3245(16) . ?
N4 C11 1.478(2) . ?
C11 H11E 0.9900 . ?
C11 H11F 0.9900 . ?
C11 C12 1.518(3) . ?
C12 H12E 0.9900 . ?
C12 H12F 0.9900 . ?
C13 H13D 0.9800 . ?
C13 H13E 0.9800 . ?
C13 H13F 0.9800 . ?
C13A H13A 0.9800 . ?
C13A H13B 0.9800 . ?
C13A H13C 0.9800 . ?
C14 H14D 0.9800 . ?
C14 H14E 0.9800 . ?
C14 H14F 0.9800 . ?
C14A H14A 0.9800 . ?
C14A H14B 0.9800 . ?
C14A H14C 0.9800 . ?
C15 H15D 0.9800 . ?
C15 H15F 0.9800 . ?
C15 H15E 0.9800 . ?
C15A H15A 0.9800 . ?
C15A H15B 0.9800 . ?
C15A H15C 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
C1A Mo1A N4A 178.60(8) . . ?
C1A Mo1A N1A 101.59(8) . . ?
C1A Mo1A N2A 100.12(9) . . ?
C1A Mo1A N3A 100.23(8) . . ?
N1A Mo1A N4A 79.69(7) . . ?
N1A Mo1A N2A 115.37(7) . . ?
N1A Mo1A N3A 115.26(8) . . ?
N2A Mo1A N4A 78.77(7) . . ?
N3A Mo1A N4A 79.66(6) . . ?
N3A Mo1A N2A 119.38(8) . . ?
H21A C21A H21B 108.2 . . ?
C22A C21A H21A 109.7 . . ?
C22A C21A H21B 109.7 . . ?
N4A C21A H21A 109.7 . . ?
N4A C21A H21B 109.7 . . ?
N4A C21A C22A 110.0(4) . . ?
C21A C22A H22A 109.7 . . ?
C21A C22A H22B 109.7 . . ?
H22A C22A H22B 108.2 . . ?
N2A C22A C21A 110.0(6) . . ?
N2A C22A H22A 109.7 . . ?
N2A C22A H22B 109.7 . . ?
H31A C31A H31B 108.2 . . ?
C32A C31A H31A 109.8 . . ?
C32A C31A H31B 109.8 . . ?
N4A C31A H31A 109.8 . . ?
N4A C31A H31B 109.8 . . ?
N4A C31A C32A 109.5(7) . . ?
C31A C32A H32A 109.4 . . ?
C31A C32A H32B 109.4 . . ?
H32A C32A H32B 108.0 . . ?
N3A C32A C31A 111.2(11) . . ?
N3A C32A H32A 109.4 . . ?
N3A C32A H32B 109.4 . . ?
H11A C11A H11B 108.2 . . ?
C12A C11A H11A 109.7 . . ?
C12A C11A H11B 109.7 . . ?
N4A C11A H11A 109.7 . . ?
N4A C11A H11B 109.7 . . ?
N4A C11A C12A 109.7(7) . . ?
C11A C12A H12A 109.2 . . ?
C11A C12A H12B 109.2 . . ?
H12A C12A H12B 107.9 . . ?
N1A C12A C11A 111.9(11) . . ?
N1A C12A H12A 109.2 . . ?
N1A C12A H12B 109.2 . . ?
H21C C21B H21D 109.2 . . ?
C22B C21B H21C 111.3 . . ?
C22B C21B H21D 111.3 . . ?
C22B C21B N4A 102(2) . . ?
N4A C21B H21C 111.3 . . ?
N4A C21B H21D 111.3 . . ?
C21B C22B H22C 106.8 . . ?
C21B C22B H22D 106.8 . . ?
H22C C22B H22D 106.6 . . ?
N2A C22B C21B 122(3) . . ?
N2A C22B H22C 106.8 . . ?
N2A C22B H22D 106.8 . . ?
H31C C31B H31D 108.2 . . ?
C32B C31B H31C 109.8 . . ?
C32B C31B H31D 109.8 . . ?
N4A C31B H31C 109.8 . . ?
N4A C31B H31D 109.8 . . ?
N4A C31B C32B 109(3) . . ?
C31B C32B H32C 109.2 . . ?
C31B C32B H32D 109.2 . . ?
C31B C32B N3A 112(5) . . ?
H32C C32B H32D 107.9 . . ?
N3A C32B H32C 109.2 . . ?
N3A C32B H32D 109.2 . . ?
H11C C11B H11D 108.0 . . ?
C12B C11B H11C 109.4 . . ?
C12B C11B H11D 109.4 . . ?
N4A C11B H11C 109.4 . . ?
N4A C11B H11D 109.4 . . ?
N4A C11B C12B 111(3) . . ?
C11B C12B H12C 109.3 . . ?
C11B C12B H12D 109.3 . . ?
H12C C12B H12D 107.9 . . ?
N1A C12B C11B 112(5) . . ?
N1A C12B H12C 109.3 . . ?
N1A C12B H12D 109.3 . . ?
C21A N4A Mo1A 106.11(14) . . ?
C21A N4A C31A 112.1(2) . . ?
C31A N4A Mo1A 105.77(13) . . ?
C11A N4A Mo1A 105.65(13) . . ?
C11A N4A C21A 113.56(19) . . ?
C11A N4A C31A 112.84(19) . . ?
C21B N4A Mo1A 106.1(4) . . ?
C31B N4A Mo1A 106.3(5) . . ?
C31B N4A C21B 113.4(8) . . ?
C31B N4A C11B 114.8(8) . . ?
C11B N4A Mo1A 105.4(4) . . ?
C11B N4A C21B 110.1(7) . . ?
H21E C21 H21F 108.2 . . ?
C22 C21 H21E 109.8 . . ?
C22 C21 H21F 109.8 . . ?
N4 C21 H21E 109.8 . . ?
N4 C21 H21F 109.8 . . ?
N4 C21 C22 109.45(16) . . ?
C21 C22 H22E 109.5 . . ?
C21 C22 H22F 109.5 . . ?
H22E C22 H22F 108.1 . . ?
N2 C22 C21 110.66(16) . . ?
N2 C22 H22E 109.5 . . ?
N2 C22 H22F 109.5 . . ?
H24G C24 H24H 109.5 . . ?
H24G C24 H24I 109.5 . . ?
H24H C24 H24I 109.5 . . ?
Si2 C24 H24G 109.5 . . ?
Si2 C24 H24H 109.5 . . ?
Si2 C24 H24I 109.5 . . ?
H23G C23 H23H 109.5 . . ?
H23G C23 H23I 109.5 . . ?
H23H C23 H23I 109.5 . . ?
Si2 C23 H23G 109.5 . . ?
Si2 C23 H23H 109.5 . . ?
Si2 C23 H23I 109.5 . . ?
H25G C25 H25H 109.5 . . ?
H25G C25 H25I 109.5 . . ?
H25H C25 H25I 109.5 . . ?
Si2 C25 H25G 109.5 . . ?
Si2 C25 H25H 109.5 . . ?
Si2 C25 H25I 109.5 . . ?
H23A C23A H23B 109.5 . . ?
H23A C23A H23C 109.5 . . ?
H23B C23A H23C 109.5 . . ?
Si2A C23A H23A 109.5 . . ?
Si2A C23A H23B 109.5 . . ?
Si2A C23A H23C 109.5 . . ?
H24A C24A H24B 109.5 . . ?
H24A C24A H24C 109.5 . . ?
H24B C24A H24C 109.5 . . ?
Si2A C24A H24A 109.5 . . ?
Si2A C24A H24B 109.5 . . ?
Si2A C24A H24C 109.5 . . ?
H25A C25A H25B 109.5 . . ?
H25A C25A H25C 109.5 . . ?
H25B C25A H25C 109.5 . . ?
Si2A C25A H25A 109.5 . . ?
Si2A C25A H25B 109.5 . . ?
Si2A C25A H25C 109.5 . . ?
C24A Si2A C23A 107.9(3) . . ?
C24A Si2A C25A 109.3(2) . . ?
C25A Si2A C23A 105.4(3) . . ?
N2A Si2A C23A 109.85(19) . . ?
N2A Si2A C24A 112.09(18) . . ?
N2A Si2A C25A 112.11(17) . . ?
H23D C23B H23E 109.5 . . ?
H23D C23B H23F 109.5 . . ?
H23E C23B H23F 109.5 . . ?
Si2B C23B H23D 109.5 . . ?
Si2B C23B H23E 109.5 . . ?
Si2B C23B H23F 109.5 . . ?
H24D C24B H24E 109.5 . . ?
H24D C24B H24F 109.5 . . ?
H24E C24B H24F 109.5 . . ?
Si2B C24B H24D 109.5 . . ?
Si2B C24B H24E 109.5 . . ?
Si2B C24B H24F 109.5 . . ?
H25D C25B H25E 109.5 . . ?
H25D C25B H25F 109.5 . . ?
H25E C25B H25F 109.5 . . ?
Si2B C25B H25D 109.5 . . ?
Si2B C25B H25E 109.5 . . ?
Si2B C25B H25F 109.5 . . ?
C23B Si2B C24B 108.8(11) . . ?
C23B Si2B C25B 106.6(12) . . ?
C24B Si2B C25B 106.2(11) . . ?
N2A Si2B C23B 107.8(8) . . ?
N2A Si2B C24B 107.2(8) . . ?
N2A Si2B C25B 119.9(9) . . ?
H31E C31 H31F 108.2 . . ?
C32 C31 H31E 109.8 . . ?
C32 C31 H31F 109.8 . . ?
N4 C31 H31E 109.8 . . ?
N4 C31 H31F 109.8 . . ?
N4 C31 C32 109.56(15) . . ?
C31 C32 H32E 109.5 . . ?
C31 C32 H32F 109.5 . . ?
H32E C32 H32F 108.1 . . ?
N3 C32 C31 110.86(16) . . ?
N3 C32 H32E 109.5 . . ?
N3 C32 H32F 109.5 . . ?
H33D C33 H33E 109.5 . . ?
H33D C33 H33F 109.5 . . ?
H33E C33 H33F 109.5 . . ?
Si3 C33 H33D 109.5 . . ?
Si3 C33 H33E 109.5 . . ?
Si3 C33 H33F 109.5 . . ?
H33A C33A H33B 109.5 . . ?
H33A C33A H33C 109.5 . . ?
H33B C33A H33C 109.5 . . ?
Si3A C33A H33A 109.5 . . ?
Si3A C33A H33B 109.5 . . ?
Si3A C33A H33C 109.5 . . ?
H34D C34 H34E 109.5 . . ?
H34D C34 H34F 109.5 . . ?
H34E C34 H34F 109.5 . . ?
Si3 C34 H34D 109.5 . . ?
Si3 C34 H34E 109.5 . . ?
Si3 C34 H34F 109.5 . . ?
H34A C34A H34B 109.5 . . ?
H34A C34A H34C 109.5 . . ?
H34B C34A H34C 109.5 . . ?
Si3A C34A H34A 109.5 . . ?
Si3A C34A H34B 109.5 . . ?
Si3A C34A H34C 109.5 . . ?
H35D C35 H35E 109.5 . . ?
H35D C35 H35F 109.5 . . ?
H35E C35 H35F 109.5 . . ?
Si3 C35 H35D 109.5 . . ?
Si3 C35 H35E 109.5 . . ?
Si3 C35 H35F 109.5 . . ?
H35A C35A H35B 109.5 . . ?
H35A C35A H35C 109.5 . . ?
H35B C35A H35C 109.5 . . ?
Si3A C35A H35A 109.5 . . ?
Si3A C35A H35B 109.5 . . ?
Si3A C35A H35C 109.5 . . ?
N1 Si1 C13 110.06(10) . . ?
N1 Si1 C14 111.75(10) . . ?
N1 Si1 C15 111.65(10) . . ?
C14 Si1 C13 105.46(12) . . ?
C15 Si1 C13 107.30(14) . . ?
C15 Si1 C14 110.36(12) . . ?
N1A Si1A C13A 111.54(10) . . ?
N1A Si1A C14A 112.02(10) . . ?
N1A Si1A C15A 109.24(11) . . ?
C13A Si1A C15A 107.98(13) . . ?
C14A Si1A C13A 109.21(12) . . ?
C14A Si1A C15A 106.66(13) . . ?
Mo1 C1 H1 180.0 . . ?
Mo1A C1A H1A 180.0 . . ?
Si1 N1 Mo1 124.47(9) . . ?
C12 N1 Si1 117.24(13) . . ?
C12 N1 Mo1 116.84(12) . . ?
C12A N1A Mo1A 116.9(4) . . ?
C12A N1A Si1A 118.3(4) . . ?
C12B N1A Mo1A 118.9(15) . . ?
C12B N1A Si1A 116.3(17) . . ?
Si1A N1A Mo1A 124.23(9) . . ?
C22 N2 Si2 118.02(12) . . ?
C22 N2 Mo1 116.76(12) . . ?
Si2 N2 Mo1 124.13(9) . . ?
C22A N2A Mo1A 118.2(3) . . ?
C22A N2A Si2A 116.0(3) . . ?
C22B N2A Mo1A 115.3(14) . . ?
C22B N2A Si2B 121.8(17) . . ?
Si2A N2A Mo1A 125.59(13) . . ?
Si2B N2A Mo1A 122.4(4) . . ?
C32 N3 Si3 118.55(12) . . ?
C32 N3 Mo1 117.06(12) . . ?
Si3 N3 Mo1 123.82(9) . . ?
C32A N3A Mo1A 117.2(3) . . ?
C32A N3A Si3A 116.1(4) . . ?
C32B N3A Mo1A 115.6(15) . . ?
C32B N3A Si3A 117.9(17) . . ?
Si3A N3A Mo1A 125.77(10) . . ?
C24 Si2 C23 106.71(10) . . ?
C25 Si2 C24 110.61(11) . . ?
C25 Si2 C23 107.29(11) . . ?
N2 Si2 C24 111.39(9) . . ?
N2 Si2 C23 109.83(9) . . ?
N2 Si2 C25 110.85(9) . . ?
C33 Si3 C35 107.38(11) . . ?
C34 Si3 C33 108.78(11) . . ?
C34 Si3 C35 106.02(11) . . ?
N3 Si3 C33 111.88(9) . . ?
N3 Si3 C34 112.86(9) . . ?
N3 Si3 C35 109.62(10) . . ?
C34A Si3A C33A 108.4(2) . . ?
C34A Si3A C35A 108.63(17) . . ?
C35A Si3A C33A 104.93(16) . . ?
N3A Si3A C33A 110.37(12) . . ?
N3A Si3A C34A 110.11(12) . . ?
N3A Si3A C35A 114.12(11) . . ?
C1 Mo1 N1 100.87(8) . . ?
C1 Mo1 N2 101.18(8) . . ?
C1 Mo1 N3 100.23(8) . . ?
C1 Mo1 N4 179.51(8) . . ?
N1 Mo1 N2 116.60(7) . . ?
N1 Mo1 N3 116.84(7) . . ?
N1 Mo1 N4 79.27(6) . . ?
N2 Mo1 N4 79.15(6) . . ?
N3 Mo1 N2 116.36(7) . . ?
N3 Mo1 N4 79.29(6) . . ?
C21 N4 C31 113.17(16) . . ?
C21 N4 Mo1 106.06(11) . . ?
C21 N4 C11 112.47(15) . . ?
C31 N4 Mo1 105.97(11) . . ?
C31 N4 C11 112.51(15) . . ?
C11 N4 Mo1 105.94(11) . . ?
N4 C11 H11E 109.9 . . ?
N4 C11 H11F 109.9 . . ?
N4 C11 C12 109.12(15) . . ?
H11E C11 H11F 108.3 . . ?
C12 C11 H11E 109.9 . . ?
C12 C11 H11F 109.9 . . ?
N1 C12 C11 110.84(16) . . ?
N1 C12 H12E 109.5 . . ?
N1 C12 H12F 109.5 . . ?
C11 C12 H12E 109.5 . . ?
C11 C12 H12F 109.5 . . ?
H12E C12 H12F 108.1 . . ?
Si1 C13 H13D 109.5 . . ?
Si1 C13 H13E 109.5 . . ?
Si1 C13 H13F 109.5 . . ?
H13D C13 H13E 109.5 . . ?
H13D C13 H13F 109.5 . . ?
H13E C13 H13F 109.5 . . ?
Si1A C13A H13A 109.5 . . ?
Si1A C13A H13B 109.5 . . ?
Si1A C13A H13C 109.5 . . ?
H13A C13A H13B 109.5 . . ?
H13A C13A H13C 109.5 . . ?
H13B C13A H13C 109.5 . . ?
Si1 C14 H14D 109.5 . . ?
Si1 C14 H14E 109.5 . . ?
Si1 C14 H14F 109.5 . . ?
H14D C14 H14E 109.5 . . ?
H14D C14 H14F 109.5 . . ?
H14E C14 H14F 109.5 . . ?
Si1A C14A H14A 109.5 . . ?
Si1A C14A H14B 109.5 . . ?
Si1A C14A H14C 109.5 . . ?
H14A C14A H14B 109.5 . . ?
H14A C14A H14C 109.5 . . ?
H14B C14A H14C 109.5 . . ?
Si1 C15 H15D 109.5 . . ?
Si1 C15 H15F 109.5 . . ?
Si1 C15 H15E 109.5 . . ?
H15D C15 H15F 109.5 . . ?
H15D C15 H15E 109.5 . . ?
H15F C15 H15E 109.5 . . ?
Si1A C15A H15A 109.5 . . ?
Si1A C15A H15B 109.5 . . ?
Si1A C15A H15C 109.5 . . ?
H15A C15A H15B 109.5 . . ?
H15A C15A H15C 109.5 . . ?
H15B C15A H15C 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
Mo1A N3A Si3A C33A 170.28(18) . . . . ?
Mo1A N3A Si3A C34A -70.03(19) . . . . ?
Mo1A N3A Si3A C35A 52.42(19) . . . . ?
C21A C22A N2A Mo1A -24.0(8) . . . . ?
C21A C22A N2A Si2A 160.7(4) . . . . ?
C22A C21A N4A Mo1A -41.3(5) . . . . ?
C22A C21A N4A C31A -156.3(5) . . . . ?
C22A C21A N4A C11A 74.3(5) . . . . ?
C31A C32A N3A Mo1A -28.9(11) . . . . ?
C31A C32A N3A Si3A 161.3(5) . . . . ?
C32A C31A N4A Mo1A -38.1(7) . . . . ?
C32A C31A N4A C21A 77.1(7) . . . . ?
C32A C31A N4A C11A -153.2(7) . . . . ?
C32A N3A Si3A C33A -20.9(7) . . . . ?
C32A N3A Si3A C34A 98.7(7) . . . . ?
C32A N3A Si3A C35A -138.8(7) . . . . ?
C11A C12A N1A Mo1A -26.2(12) . . . . ?
C11A C12A N1A Si1A 161.5(5) . . . . ?
C12A C11A N4A Mo1A -38.8(7) . . . . ?
C12A C11A N4A C21A -154.7(7) . . . . ?
C12A C11A N4A C31A 76.3(7) . . . . ?
C21B C22B N2A Mo1A 21(6) . . . . ?
C21B C22B N2A Si2B -151(3) . . . . ?
C22B C21B N4A Mo1A 37(2) . . . . ?
C22B C21B N4A C31B -79(2) . . . . ?
C22B C21B N4A C11B 150(2) . . . . ?
C31B C32B N3A Mo1A 19(6) . . . . ?
C31B C32B N3A Si3A -152(3) . . . . ?
C32B C31B N4A Mo1A 43(3) . . . . ?
C32B C31B N4A C21B 159(3) . . . . ?
C32B C31B N4A C11B -73(3) . . . . ?
C32B N3A Si3A C33A -20(3) . . . . ?
C32B N3A Si3A C34A 100(3) . . . . ?
C32B N3A Si3A C35A -138(3) . . . . ?
C11B C12B N1A Mo1A 16(6) . . . . ?
C11B C12B N1A Si1A -155(3) . . . . ?
C12B C11B N4A Mo1A 37(3) . . . . ?
C12B C11B N4A C21B -77(3) . . . . ?
C12B C11B N4A C31B 154(3) . . . . ?
N4A C21A C22A N2A 43.9(7) . . . . ?
N4A C31A C32A N3A 45.2(9) . . . . ?
N4A C11A C12A N1A 44.2(10) . . . . ?
N4A C21B C22B N2A -42(6) . . . . ?
N4A C31B C32B N3A -42(5) . . . . ?
N4A C11B C12B N1A -37(5) . . . . ?
C21 C22 N2 Si2 -157.65(14) . . . . ?
C21 C22 N2 Mo1 33.8(2) . . . . ?
C21 N4 C11 C12 152.94(16) . . . . ?
C22 C21 N4 C31 153.13(16) . . . . ?
C22 C21 N4 Mo1 37.37(17) . . . . ?
C22 C21 N4 C11 -77.99(19) . . . . ?
C22 N2 Si2 C24 131.60(15) . . . . ?
C22 N2 Si2 C23 13.61(17) . . . . ?
C22 N2 Si2 C25 -104.78(16) . . . . ?
C23A Si2A N2A Mo1A -172.3(3) . . . . ?
C23A Si2A N2A C22A 2.5(6) . . . . ?
C24A Si2A N2A Mo1A 67.8(3) . . . . ?
C24A Si2A N2A C22A -117.4(6) . . . . ?
C25A Si2A N2A Mo1A -55.5(3) . . . . ?
C25A Si2A N2A C22A 119.3(6) . . . . ?
C23B Si2B N2A Mo1A -137.1(10) . . . . ?
C23B Si2B N2A C22B 35(3) . . . . ?
C24B Si2B N2A Mo1A 105.9(10) . . . . ?
C24B Si2B N2A C22B -82(3) . . . . ?
C25B Si2B N2A Mo1A -15.0(14) . . . . ?
C25B Si2B N2A C22B 157(3) . . . . ?
C31 C32 N3 Si3 -156.32(14) . . . . ?
C31 C32 N3 Mo1 32.0(2) . . . . ?
C31 N4 C11 C12 -77.8(2) . . . . ?
C32 C31 N4 C21 -78.3(2) . . . . ?
C32 C31 N4 Mo1 37.47(18) . . . . ?
C32 C31 N4 C11 152.80(16) . . . . ?
C32 N3 Si3 C33 -106.88(16) . . . . ?
C32 N3 Si3 C34 130.04(15) . . . . ?
C32 N3 Si3 C35 12.12(18) . . . . ?
Si1 N1 C12 C11 -159.42(14) . . . . ?
Mo1 N1 C12 C11 33.7(2) . . . . ?
Mo1 N2 Si2 C24 -60.73(13) . . . . ?
Mo1 N2 Si2 C23 -178.72(11) . . . . ?
Mo1 N2 Si2 C25 62.89(13) . . . . ?
Mo1 N3 Si3 C33 64.18(14) . . . . ?
Mo1 N3 Si3 C34 -58.90(14) . . . . ?
Mo1 N3 Si3 C35 -176.82(11) . . . . ?
Mo1 N4 C11 C12 37.50(17) . . . . ?
N4 C21 C22 N2 -47.5(2) . . . . ?
N4 C31 C32 N3 -46.5(2) . . . . ?
N4 C11 C12 N1 -47.5(2) . . . . ?
C13 Si1 N1 Mo1 -175.35(13) . . . . ?
C13 Si1 N1 C12 18.84(19) . . . . ?
C13A Si1A N1A Mo1A -60.94(15) . . . . ?
C13A Si1A N1A C12A 110.8(7) . . . . ?
C13A Si1A N1A C12B 110(3) . . . . ?
C14 Si1 N1 Mo1 -58.54(14) . . . . ?
C14 Si1 N1 C12 135.65(15) . . . . ?
C14A Si1A N1A Mo1A 61.83(15) . . . . ?
C14A Si1A N1A C12A -126.4(7) . . . . ?
C14A Si1A N1A C12B -127(3) . . . . ?
C15 Si1 N1 Mo1 65.61(15) . . . . ?
C15 Si1 N1 C12 -100.21(17) . . . . ?
C15A Si1A N1A Mo1A 179.78(14) . . . . ?
C15A Si1A N1A C12A -8.5(7) . . . . ?
C15A Si1A N1A C12B -9(3) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
