# Supplementary Information (SI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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. 
# 
#######################################################################

data_mo_LGe_CCOOME_2_0m_a
_database_code_depnum_ccdc_archive 'CCDC 2347985'
loop_
_audit_author_name
_audit_author_address
'Ajithkumar V S'
;National Chemical Laboratory
India
;
_audit_update_record             
;
2024-04-12 deposited with the CCDC.	2024-08-13 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C30 H56 Ge N2 O4 Si4, C4 H8 O'
_chemical_formula_sum            'C34 H64 Ge N2 O5 Si4'
_chemical_formula_weight         765.84

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'
Ge Ge 0.1547 1.8001 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.5714(9)
_cell_length_b                   13.2520(12)
_cell_length_c                   17.5019(15)
_cell_angle_alpha                97.149(3)
_cell_angle_beta                 97.276(3)
_cell_angle_gamma                102.064(3)
_cell_volume                     2127.2(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9652
_cell_measurement_theta_min      2.20
_cell_measurement_theta_max      28.34

_exptl_crystal_description       Block
_exptl_crystal_colour            Red
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.196
_exptl_crystal_F_000             820
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.02
_exptl_absorpt_coefficient_mu    0.870
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  0.6607
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            97219
_diffrn_reflns_av_unetI/netI     0.0275
_diffrn_reflns_av_R_equivalents  0.0555
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.645
_diffrn_reflns_theta_max         28.407
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             10635
_reflns_number_gt                9767
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0404P)²+1.5212P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         10635
_refine_ls_number_parameters     432
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0357
_refine_ls_R_factor_gt           0.0317
_refine_ls_wR_factor_ref         0.0861
_refine_ls_wR_factor_gt          0.0833
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_restrained_S_all      1.041
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
Ge1 Ge 0.51942(2) 0.31088(2) 0.26308(2) 0.01484(5) Uani 1 1 d . . . . .
Si1 Si 0.66406(4) 0.60027(3) 0.28551(2) 0.01426(8) Uani 1 1 d . . . . .
O1 O 0.32539(13) 0.29958(9) 0.07512(7) 0.0232(2) Uani 1 1 d . . . . .
N1 N 0.32830(13) 0.20768(10) 0.23905(7) 0.0157(2) Uani 1 1 d . . . . .
C1 C 0.37616(15) 0.14364(11) 0.18875(8) 0.0140(3) Uani 1 1 d . . . . .
Si2 Si 0.79941(5) 0.52708(3) 0.37821(2) 0.01828(9) Uani 1 1 d . . . . .
O2 O 0.21579(12) 0.40522(9) 0.14500(7) 0.0204(2) Uani 1 1 d . . . . .
N2 N 0.50802(13) 0.19060(9) 0.17896(7) 0.0147(2) Uani 1 1 d . . . . .
C2 C 0.29524(15) 0.03702(11) 0.14980(9) 0.0148(3) Uani 1 1 d . . . . .
Si3 Si 0.53923(5) 0.70888(4) 0.35521(3) 0.02080(9) Uani 1 1 d . . . . .
O3 O 0.41125(14) 0.65621(9) 0.17538(7) 0.0255(3) Uani 1 1 d . . . . .
C3 C 0.20006(16) 0.02508(12) 0.08036(9) 0.0185(3) Uani 1 1 d . . . . .
H3 H 0.186226 0.084667 0.057944 0.022 Uiso 1 1 calc R U . . .
Si4 Si 0.83132(5) 0.69851(3) 0.21846(3) 0.02104(9) Uani 1 1 d . . . . .
O4 O 0.43887(13) 0.53992(9) 0.07678(6) 0.0208(2) Uani 1 1 d . . . . .
C4 C 0.12548(17) -0.07428(13) 0.04403(10) 0.0210(3) Uani 1 1 d . . . . .
H4 H 0.060318 -0.082661 -0.003210 0.025 Uiso 1 1 calc R U . . .
O5 O 0.3979(3) 0.9107(2) 0.54521(17) 0.0882(8) Uani 1 1 d . . . . .
C5 C 0.14623(17) -0.16161(12) 0.07686(10) 0.0216(3) Uani 1 1 d . . . . .
H5 H 0.094541 -0.229428 0.052170 0.026 Uiso 1 1 calc R U . . .
C6 C 0.24210(18) -0.14978(12) 0.14544(10) 0.0216(3) Uani 1 1 d . . . . .
H6 H 0.256872 -0.209468 0.167427 0.026 Uiso 1 1 calc R U . . .
C7 C 0.31658(17) -0.05049(12) 0.18200(9) 0.0185(3) Uani 1 1 d . . . . .
H7 H 0.382170 -0.042348 0.229053 0.022 Uiso 1 1 calc R U . . .
C8 C 0.20699(16) 0.18617(13) 0.28330(9) 0.0186(3) Uani 1 1 d . . . . .
C9 C 0.06188(18) 0.14578(18) 0.22893(11) 0.0320(4) Uani 1 1 d . . . . .
H9A H 0.051901 0.193418 0.191048 0.048 Uiso 1 1 calc R U . . .
H9B H -0.017270 0.142067 0.259685 0.048 Uiso 1 1 calc R U . . .
H9C H 0.058204 0.076040 0.201278 0.048 Uiso 1 1 calc R U . . .
C10 C 0.22967(19) 0.10849(13) 0.33887(10) 0.0237(3) Uani 1 1 d . . . . .
H10A H 0.224998 0.040171 0.308583 0.036 Uiso 1 1 calc R U . . .
H10B H 0.153911 0.101989 0.371925 0.036 Uiso 1 1 calc R U . . .
H10C H 0.324618 0.133578 0.371696 0.036 Uiso 1 1 calc R U . . .
C11 C 0.2078(2) 0.29143(14) 0.33052(11) 0.0285(4) Uani 1 1 d . . . . .
H11A H 0.193574 0.341250 0.294965 0.043 Uiso 1 1 calc R U . . .
H11B H 0.300913 0.317860 0.364957 0.043 Uiso 1 1 calc R U . . .
H11C H 0.129604 0.282665 0.361936 0.043 Uiso 1 1 calc R U . . .
C12 C 0.60287(16) 0.15920(12) 0.12461(9) 0.0175(3) Uani 1 1 d . . . . .
C13 C 0.73064(18) 0.25312(14) 0.13368(11) 0.0251(3) Uani 1 1 d . . . . .
H13A H 0.795421 0.238854 0.096658 0.038 Uiso 1 1 calc R U . . .
H13B H 0.783535 0.265785 0.186975 0.038 Uiso 1 1 calc R U . . .
H13C H 0.694890 0.314943 0.123231 0.038 Uiso 1 1 calc R U . . .
C14 C 0.52630(18) 0.13641(13) 0.03988(9) 0.0214(3) Uani 1 1 d . . . . .
H14A H 0.596851 0.128806 0.004835 0.032 Uiso 1 1 calc R U . . .
H14B H 0.481841 0.194236 0.028555 0.032 Uiso 1 1 calc R U . . .
H14C H 0.451231 0.071604 0.032072 0.032 Uiso 1 1 calc R U . . .
C15 C 0.65877(18) 0.06487(14) 0.14694(11) 0.0248(3) Uani 1 1 d . . . . .
H15A H 0.577972 0.003469 0.138645 0.037 Uiso 1 1 calc R U . . .
H15B H 0.703051 0.079672 0.201960 0.037 Uiso 1 1 calc R U . . .
H15C H 0.731027 0.051169 0.114474 0.037 Uiso 1 1 calc R U . . .
C16 C 0.45742(16) 0.40992(11) 0.19326(8) 0.0147(3) Uani 1 1 d . . . . .
C17 C 0.51655(15) 0.51365(11) 0.20534(8) 0.0141(3) Uani 1 1 d . . . . .
C18 C 0.33138(16) 0.36507(11) 0.13071(9) 0.0165(3) Uani 1 1 d . . . . .
C19 C 0.09083(19) 0.36870(15) 0.08517(11) 0.0301(4) Uani 1 1 d . . . . .
H19A H 0.115747 0.387925 0.035483 0.045 Uiso 1 1 calc R U . . .
H19B H 0.012404 0.400783 0.099375 0.045 Uiso 1 1 calc R U . . .
H19C H 0.059350 0.292556 0.079969 0.045 Uiso 1 1 calc R U . . .
C20 C 0.45000(16) 0.57841(12) 0.15290(9) 0.0167(3) Uani 1 1 d . . . . .
C21 C 0.3680(2) 0.59471(15) 0.02312(10) 0.0287(4) Uani 1 1 d . . . . .
H21A H 0.372441 0.565321 -0.030498 0.043 Uiso 1 1 calc R U . . .
H21B H 0.416748 0.668929 0.033114 0.043 Uiso 1 1 calc R U . . .
H21C H 0.266624 0.587083 0.030328 0.043 Uiso 1 1 calc R U . . .
C22 C 0.9536(2) 0.81395(17) 0.28483(13) 0.0411(5) Uani 1 1 d . . . . .
H22A H 1.013220 0.857224 0.254128 0.062 Uiso 1 1 calc R U . . .
H22B H 1.016387 0.789539 0.323681 0.062 Uiso 1 1 calc R U . . .
H22C H 0.895134 0.855360 0.311320 0.062 Uiso 1 1 calc R U . . .
C23 C 0.7422(2) 0.75006(17) 0.13490(12) 0.0342(4) Uani 1 1 d . . . . .
H23A H 0.815613 0.797555 0.114057 0.051 Uiso 1 1 calc R U . . .
H23B H 0.671834 0.787861 0.153023 0.051 Uiso 1 1 calc R U . . .
H23C H 0.692459 0.691732 0.093907 0.051 Uiso 1 1 calc R U . . .
C24 C 0.9433(2) 0.60990(16) 0.17746(13) 0.0353(4) Uani 1 1 d . . . . .
H24A H 0.879194 0.545423 0.148267 0.053 Uiso 1 1 calc R U . . .
H24B H 1.006503 0.592988 0.220232 0.053 Uiso 1 1 calc R U . . .
H24C H 1.002411 0.645234 0.142559 0.053 Uiso 1 1 calc R U . . .
C25 C 0.90051(19) 0.42988(15) 0.33868(11) 0.0277(4) Uani 1 1 d . . . . .
H25A H 0.833936 0.361248 0.322804 0.042 Uiso 1 1 calc R U . . .
H25B H 0.978540 0.425097 0.379147 0.042 Uiso 1 1 calc R U . . .
H25C H 0.941694 0.452680 0.293505 0.042 Uiso 1 1 calc R U . . .
C26 C 0.6946(2) 0.47300(14) 0.45356(10) 0.0274(4) Uani 1 1 d . . . . .
H26A H 0.621849 0.409846 0.429057 0.041 Uiso 1 1 calc R U . . .
H26B H 0.646366 0.525253 0.476169 0.041 Uiso 1 1 calc R U . . .
H26C H 0.760788 0.455705 0.494761 0.041 Uiso 1 1 calc R U . . .
C27 C 0.9461(2) 0.64094(15) 0.43179(12) 0.0315(4) Uani 1 1 d . . . . .
H27A H 1.015205 0.663144 0.396977 0.047 Uiso 1 1 calc R U . . .
H27B H 0.996486 0.619817 0.477325 0.047 Uiso 1 1 calc R U . . .
H27C H 0.902920 0.699026 0.448919 0.047 Uiso 1 1 calc R U . . .
C28 C 0.6205(3) 0.74506(17) 0.46112(11) 0.0380(5) Uani 1 1 d . . . . .
H28A H 0.720614 0.784747 0.465976 0.057 Uiso 1 1 calc R U . . .
H28B H 0.618854 0.681426 0.484480 0.057 Uiso 1 1 calc R U . . .
H28C H 0.564267 0.787874 0.488166 0.057 Uiso 1 1 calc R U . . .
C29 C 0.5463(2) 0.83608(14) 0.31755(11) 0.0315(4) Uani 1 1 d . . . . .
H29A H 0.509518 0.822370 0.261513 0.047 Uiso 1 1 calc R U . . .
H29B H 0.646540 0.876774 0.326655 0.047 Uiso 1 1 calc R U . . .
H29C H 0.486528 0.875520 0.344825 0.047 Uiso 1 1 calc R U . . .
C30 C 0.3475(2) 0.63517(17) 0.35059(12) 0.0357(4) Uani 1 1 d . . . . .
H30A H 0.298890 0.619961 0.296327 0.054 Uiso 1 1 calc R U . . .
H30B H 0.296597 0.677523 0.381994 0.054 Uiso 1 1 calc R U . . .
H30C H 0.347019 0.569545 0.371020 0.054 Uiso 1 1 calc R U . . .
C31 C 0.3211(5) 0.8577(3) 0.5907(3) 0.0947(13) Uani 1 1 d . . . . .
H31A H 0.375166 0.872900 0.644489 0.114 Uiso 1 1 calc R U . . .
H31B H 0.306248 0.781940 0.572211 0.114 Uiso 1 1 calc R U . . .
C32 C 0.1750(4) 0.8855(3) 0.5913(2) 0.0923(14) Uani 1 1 d . . . . .
H32A H 0.173233 0.932758 0.639473 0.111 Uiso 1 1 calc R U . . .
H32B H 0.095490 0.822469 0.585173 0.111 Uiso 1 1 calc R U . . .
C33 C 0.1670(3) 0.9418(2) 0.51822(17) 0.0552(7) Uani 1 1 d . . . . .
H33A H 0.075754 0.911960 0.481674 0.066 Uiso 1 1 calc R U . . .
H33B H 0.176722 1.017833 0.533060 0.066 Uiso 1 1 calc R U . . .
C34 C 0.2929(3) 0.9196(3) 0.48482(16) 0.0580(7) Uani 1 1 d . . . . .
H34A H 0.263443 0.853702 0.447299 0.070 Uiso 1 1 calc R U . . .
H34B H 0.332647 0.976686 0.456685 0.070 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
Ge1 N1 2.0024(13) . ?
Ge1 N2 2.0056(12) . ?
Ge1 C16 2.0271(15) . ?
Ge1 C1 2.4585(15) . ?
Si1 C17 1.9234(15) . ?
Si1 Si4 2.3706(6) . ?
Si1 Si2 2.3740(6) . ?
Si1 Si3 2.3744(6) . ?
O1 C18 1.2075(19) . ?
N1 C1 1.3355(19) . ?
N1 C8 1.4743(19) . ?
C1 N2 1.3276(18) . ?
C1 C2 1.493(2) . ?
Si2 C26 1.8788(18) . ?
Si2 C25 1.8823(18) . ?
Si2 C27 1.8859(18) . ?
O2 C18 1.3611(19) . ?
O2 C19 1.4407(19) . ?
N2 C12 1.4766(19) . ?
C2 C7 1.392(2) . ?
C2 C3 1.394(2) . ?
Si3 C30 1.876(2) . ?
Si3 C29 1.8763(19) . ?
Si3 C28 1.8783(19) . ?
O3 C20 1.2047(19) . ?
C3 C4 1.390(2) . ?
Si4 C23 1.873(2) . ?
Si4 C22 1.877(2) . ?
Si4 C24 1.885(2) . ?
O4 C20 1.3485(18) . ?
O4 C21 1.4436(19) . ?
C4 C5 1.393(2) . ?
O5 C31 1.319(4) . ?
O5 C34 1.397(4) . ?
C5 C6 1.386(2) . ?
C6 C7 1.390(2) . ?
C8 C11 1.528(2) . ?
C8 C10 1.530(2) . ?
C8 C9 1.533(2) . ?
C12 C13 1.528(2) . ?
C12 C14 1.532(2) . ?
C12 C15 1.533(2) . ?
C16 C17 1.352(2) . ?
C16 C18 1.487(2) . ?
C17 C20 1.504(2) . ?
C31 C32 1.520(5) . ?
C32 C33 1.560(5) . ?
C33 C34 1.471(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Ge1 N2 65.32(5) . . ?
N1 Ge1 C16 94.49(6) . . ?
N2 Ge1 C16 97.43(5) . . ?
N1 Ge1 C1 32.86(5) . . ?
N2 Ge1 C1 32.64(5) . . ?
C16 Ge1 C1 99.69(5) . . ?
C17 Si1 Si4 105.33(5) . . ?
C17 Si1 Si2 121.49(5) . . ?
Si4 Si1 Si2 107.17(2) . . ?
C17 Si1 Si3 104.03(5) . . ?
Si4 Si1 Si3 111.24(2) . . ?
Si2 Si1 Si3 107.50(2) . . ?
C1 N1 C8 130.33(13) . . ?
C1 N1 Ge1 92.69(9) . . ?
C8 N1 Ge1 132.17(10) . . ?
N2 C1 N1 108.61(13) . . ?
N2 C1 C2 125.52(13) . . ?
N1 C1 C2 125.87(13) . . ?
N2 C1 Ge1 54.57(7) . . ?
N1 C1 Ge1 54.45(7) . . ?
C2 C1 Ge1 174.38(10) . . ?
C26 Si2 C25 109.59(9) . . ?
C26 Si2 C27 106.50(9) . . ?
C25 Si2 C27 104.23(9) . . ?
C26 Si2 Si1 114.07(6) . . ?
C25 Si2 Si1 116.83(6) . . ?
C27 Si2 Si1 104.48(6) . . ?
C18 O2 C19 114.09(13) . . ?
C1 N2 C12 130.69(13) . . ?
C1 N2 Ge1 92.79(9) . . ?
C12 N2 Ge1 136.52(10) . . ?
C7 C2 C3 119.98(14) . . ?
C7 C2 C1 120.11(13) . . ?
C3 C2 C1 119.90(13) . . ?
C30 Si3 C29 111.19(10) . . ?
C30 Si3 C28 107.05(10) . . ?
C29 Si3 C28 105.50(9) . . ?
C30 Si3 Si1 108.72(7) . . ?
C29 Si3 Si1 112.35(7) . . ?
C28 Si3 Si1 111.91(7) . . ?
C4 C3 C2 119.77(14) . . ?
C23 Si4 C22 106.94(10) . . ?
C23 Si4 C24 107.49(10) . . ?
C22 Si4 C24 109.40(11) . . ?
C23 Si4 Si1 113.20(6) . . ?
C22 Si4 Si1 111.70(7) . . ?
C24 Si4 Si1 107.99(6) . . ?
C20 O4 C21 115.25(13) . . ?
C3 C4 C5 120.04(15) . . ?
C31 O5 C34 103.1(3) . . ?
C6 C5 C4 120.17(15) . . ?
C5 C6 C7 119.92(15) . . ?
C6 C7 C2 120.11(14) . . ?
N1 C8 C11 105.12(13) . . ?
N1 C8 C10 111.13(13) . . ?
C11 C8 C10 109.44(13) . . ?
N1 C8 C9 111.55(13) . . ?
C11 C8 C9 109.24(15) . . ?
C10 C8 C9 110.22(14) . . ?
N2 C12 C13 105.32(12) . . ?
N2 C12 C14 111.64(12) . . ?
C13 C12 C14 108.93(13) . . ?
N2 C12 C15 110.96(13) . . ?
C13 C12 C15 109.09(13) . . ?
C14 C12 C15 110.72(13) . . ?
C17 C16 C18 119.86(13) . . ?
C17 C16 Ge1 123.28(11) . . ?
C18 C16 Ge1 116.61(10) . . ?
C16 C17 C20 117.04(13) . . ?
C16 C17 Si1 131.53(11) . . ?
C20 C17 Si1 111.16(10) . . ?
O1 C18 O2 122.34(14) . . ?
O1 C18 C16 126.87(14) . . ?
O2 C18 C16 110.75(12) . . ?
O3 C20 O4 123.15(14) . . ?
O3 C20 C17 124.58(14) . . ?
O4 C20 C17 112.27(12) . . ?
O5 C31 C32 111.5(3) . . ?
C31 C32 C33 100.3(2) . . ?
C34 C33 C32 101.1(2) . . ?
O5 C34 C33 108.8(2) . . ?

_refine_diff_density_max         0.703
_refine_diff_density_min         -0.925
_refine_diff_density_rms         0.062



####################################################################### 
# 
# 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. 
# 
#######################################################################

data_mo_LSnMeOOCCCCOOMe_New
_database_code_depnum_ccdc_archive 'CCDC 2347987'
loop_
_audit_author_name
_audit_author_address
'Ajithkumar V S'
;National Chemical Laboratory
India
;
_audit_update_record             
;
2024-04-12 deposited with the CCDC.	2024-08-13 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/1
_shelx_SHELXL_version_number     2019/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C30 H56 N2 O4 Si4 Sn'
_chemical_formula_sum            'C30 H56 N2 O4 Si4 Sn'
_chemical_formula_weight         739.81

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   10.2751(10)
_cell_length_b                   15.1910(14)
_cell_length_c                   25.182(3)
_cell_angle_alpha                90
_cell_angle_beta                 99.290(3)
_cell_angle_gamma                90
_cell_volume                     3879.1(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9703
_cell_measurement_theta_min      0.168
_cell_measurement_theta_max      0.209

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.267
_exptl_crystal_F_000             1552
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.110
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.060
_exptl_absorpt_coefficient_mu    0.815
_shelx_estimated_absorpt_T_min   0.916
_shelx_estimated_absorpt_T_max   0.953
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.1683
_exptl_absorpt_correction_T_max  0.2092
_exptl_absorpt_process_details   'SADABS (Bruker, 2016)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'microfocus X-ray source'
_diffrn_measurement_device_type  'Photon II'
_diffrn_measurement_method       'phi and omega scan'
_diffrn_detector_area_resol_mean 7.39
_diffrn_reflns_number            218442
_diffrn_reflns_av_unetI/netI     0.0208
_diffrn_reflns_av_R_equivalents  0.0683
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_theta_min         2.288
_diffrn_reflns_theta_max         28.378
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             9701
_reflns_number_gt                8903
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0268P)²+3.3319P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     'direct method'
_atom_sites_solution_secondary   'difference Fourier'
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         9701
_refine_ls_number_parameters     387
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0354
_refine_ls_R_factor_gt           0.0311
_refine_ls_wR_factor_ref         0.0724
_refine_ls_wR_factor_gt          0.0706
_refine_ls_goodness_of_fit_ref   1.151
_refine_ls_restrained_S_all      1.151
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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
Sn1 Sn 0.71892(2) 0.36363(2) 0.76561(2) 0.01871(4) Uani 1 1 d . . . . .
Si1 Si 0.68914(5) 0.24775(3) 0.57427(2) 0.01724(10) Uani 1 1 d . . . . .
Si2 Si 0.84375(6) 0.13244(4) 0.57577(2) 0.02254(11) Uani 1 1 d . . . . .
Si3 Si 0.47261(5) 0.19467(4) 0.54305(2) 0.02247(11) Uani 1 1 d . . . . .
Si4 Si 0.72381(7) 0.36027(4) 0.51241(2) 0.02900(13) Uani 1 1 d . . . . .
O1 O 0.61129(14) 0.14144(9) 0.70780(6) 0.0240(3) Uani 1 1 d . . . . .
O2 O 0.43930(13) 0.23248(9) 0.67978(6) 0.0232(3) Uani 1 1 d . . . . .
O3 O 0.91862(14) 0.35730(10) 0.62617(6) 0.0266(3) Uani 1 1 d . . . . .
O4 O 0.81676(15) 0.43594(9) 0.68258(6) 0.0265(3) Uani 1 1 d . . . . .
N1 N 0.51927(15) 0.42178(10) 0.75676(6) 0.0171(3) Uani 1 1 d . . . . .
N2 N 0.56275(15) 0.29839(10) 0.80293(6) 0.0183(3) Uani 1 1 d . . . . .
C1 C 0.47325(18) 0.36004(12) 0.78641(7) 0.0170(3) Uani 1 1 d . . . . .
C2 C 0.57037(19) 0.23861(13) 0.84965(8) 0.0205(4) Uani 1 1 d . . . . .
C3 C 0.4494(2) 0.17940(14) 0.84789(9) 0.0266(4) Uani 1 1 d . . . . .
H1 H 0.430166 0.150527 0.812695 0.040 Uiso 1 1 calc R U . . .
H2 H 0.373431 0.215094 0.853674 0.040 Uiso 1 1 calc R U . . .
H3 H 0.466917 0.134657 0.876173 0.040 Uiso 1 1 calc R U . . .
C4 C 0.5935(2) 0.29107(15) 0.90230(8) 0.0276(4) Uani 1 1 d . . . . .
H4 H 0.669381 0.330254 0.902540 0.041 Uiso 1 1 calc R U . . .
H5 H 0.611025 0.250363 0.932811 0.041 Uiso 1 1 calc R U . . .
H6 H 0.514952 0.326155 0.905233 0.041 Uiso 1 1 calc R U . . .
C5 C 0.6918(2) 0.18096(15) 0.84747(9) 0.0294(5) Uani 1 1 d . . . . .
H7 H 0.680367 0.148753 0.813316 0.044 Uiso 1 1 calc R U . . .
H8 H 0.702355 0.138998 0.877419 0.044 Uiso 1 1 calc R U . . .
H9 H 0.770459 0.218277 0.850292 0.044 Uiso 1 1 calc R U . . .
C6 C 0.33598(18) 0.35682(12) 0.79927(8) 0.0180(3) Uani 1 1 d . . . . .
C7 C 0.3041(2) 0.39960(13) 0.84433(8) 0.0226(4) Uani 1 1 d . . . . .
H14 H 0.367506 0.435797 0.865652 0.027 Uiso 1 1 calc R U . . .
C8 C 0.1796(2) 0.38931(15) 0.85804(9) 0.0279(4) Uani 1 1 d . . . . .
H13 H 0.158331 0.417729 0.889134 0.033 Uiso 1 1 calc R U . . .
C9 C 0.0863(2) 0.33790(16) 0.82666(9) 0.0307(5) Uani 1 1 d . . . . .
H12 H 0.001606 0.330336 0.836510 0.037 Uiso 1 1 calc R U . . .
C10 C 0.1163(2) 0.29731(15) 0.78079(9) 0.0271(4) Uani 1 1 d . . . . .
H11 H 0.051159 0.263457 0.758656 0.033 Uiso 1 1 calc R U . . .
C11 C 0.24152(19) 0.30610(13) 0.76716(8) 0.0215(4) Uani 1 1 d . . . . .
H10 H 0.262500 0.277583 0.736050 0.026 Uiso 1 1 calc R U . . .
C12 C 0.44790(19) 0.49083(12) 0.72216(8) 0.0201(4) Uani 1 1 d . . . . .
C13 C 0.5530(2) 0.55674(14) 0.71100(10) 0.0298(5) Uani 1 1 d . . . . .
H15 H 0.619261 0.526294 0.693769 0.045 Uiso 1 1 calc R U . . .
H16 H 0.595662 0.582865 0.744975 0.045 Uiso 1 1 calc R U . . .
H17 H 0.511469 0.603237 0.687101 0.045 Uiso 1 1 calc R U . . .
C14 C 0.3830(2) 0.45015(14) 0.66903(9) 0.0303(5) Uani 1 1 d . . . . .
H18 H 0.333734 0.495560 0.646550 0.045 Uiso 1 1 calc R U . . .
H19 H 0.322574 0.403310 0.676173 0.045 Uiso 1 1 calc R U . . .
H20 H 0.451093 0.425442 0.650257 0.045 Uiso 1 1 calc R U . . .
C15 C 0.3450(2) 0.53983(14) 0.74837(10) 0.0316(5) Uani 1 1 d . . . . .
H21 H 0.314332 0.591595 0.726688 0.047 Uiso 1 1 calc R U . . .
H22 H 0.384516 0.558604 0.784639 0.047 Uiso 1 1 calc R U . . .
H23 H 0.270242 0.500737 0.750604 0.047 Uiso 1 1 calc R U . . .
C16 C 0.65953(18) 0.28666(12) 0.68799(7) 0.0176(3) Uani 1 1 d . . . . .
C17 C 0.55697(18) 0.21922(12) 0.68986(7) 0.0178(3) Uani 1 1 d . . . . .
C18 C 0.5224(2) 0.07140(13) 0.71723(9) 0.0296(5) Uani 1 1 d . . . . .
H24 H 0.434175 0.095746 0.717586 0.044 Uiso 1 1 calc R U . . .
H25 H 0.554478 0.043549 0.751975 0.044 Uiso 1 1 calc R U . . .
H26 H 0.518164 0.027465 0.688504 0.044 Uiso 1 1 calc R U . . .
C19 C 0.71560(18) 0.30229(12) 0.64414(7) 0.0169(3) Uani 1 1 d . . . . .
C20 C 1.0166(2) 0.16731(17) 0.60253(13) 0.0440(6) Uani 1 1 d . . . . .
H27 H 1.075819 0.116618 0.603068 0.066 Uiso 1 1 calc R U . . .
H28 H 1.020743 0.190199 0.639146 0.066 Uiso 1 1 calc R U . . .
H29 H 1.043845 0.213376 0.579376 0.066 Uiso 1 1 calc R U . . .
C21 C 0.7992(3) 0.04132(15) 0.61944(11) 0.0373(5) Uani 1 1 d . . . . .
H30 H 0.717952 0.012797 0.601878 0.056 Uiso 1 1 calc R U . . .
H31 H 0.785406 0.065406 0.654214 0.056 Uiso 1 1 calc R U . . .
H32 H 0.870740 -0.001993 0.625124 0.056 Uiso 1 1 calc R U . . .
C22 C 0.8412(3) 0.0888(2) 0.50611(11) 0.0483(7) Uani 1 1 d . . . . .
H33 H 0.753674 0.064873 0.492457 0.073 Uiso 1 1 calc R U . . .
H34 H 0.907433 0.042214 0.506858 0.073 Uiso 1 1 calc R U . . .
H35 H 0.861298 0.136585 0.482544 0.073 Uiso 1 1 calc R U . . .
C23 C 0.4111(2) 0.09912(15) 0.57889(10) 0.0327(5) Uani 1 1 d . . . . .
H36 H 0.333171 0.073898 0.556467 0.049 Uiso 1 1 calc R U . . .
H37 H 0.387534 0.119157 0.613095 0.049 Uiso 1 1 calc R U . . .
H38 H 0.480306 0.054285 0.585865 0.049 Uiso 1 1 calc R U . . .
C24 C 0.3506(2) 0.28671(15) 0.54172(10) 0.0329(5) Uani 1 1 d . . . . .
H39 H 0.377371 0.335896 0.520720 0.049 Uiso 1 1 calc R U . . .
H40 H 0.347611 0.306345 0.578570 0.049 Uiso 1 1 calc R U . . .
H41 H 0.263094 0.266003 0.525169 0.049 Uiso 1 1 calc R U . . .
C25 C 0.4734(3) 0.15084(17) 0.47309(10) 0.0370(5) Uani 1 1 d . . . . .
H42 H 0.383380 0.134888 0.456764 0.055 Uiso 1 1 calc R U . . .
H43 H 0.530066 0.098676 0.474943 0.055 Uiso 1 1 calc R U . . .
H44 H 0.507144 0.196160 0.451180 0.055 Uiso 1 1 calc R U . . .
C26 C 0.8965(3) 0.36145(19) 0.49665(11) 0.0469(7) Uani 1 1 d . . . . .
H45 H 0.910999 0.308628 0.476040 0.070 Uiso 1 1 calc R U . . .
H46 H 0.959628 0.362364 0.530277 0.070 Uiso 1 1 calc R U . . .
H47 H 0.908932 0.413963 0.475430 0.070 Uiso 1 1 calc R U . . .
C27 C 0.6143(3) 0.35083(18) 0.44509(10) 0.0472(7) Uani 1 1 d . . . . .
H48 H 0.624428 0.403438 0.423606 0.071 Uiso 1 1 calc R U . . .
H49 H 0.522180 0.345549 0.450396 0.071 Uiso 1 1 calc R U . . .
H50 H 0.639169 0.298586 0.426215 0.071 Uiso 1 1 calc R U . . .
C28 C 0.6854(3) 0.47034(15) 0.54068(10) 0.0431(6) Uani 1 1 d . . . . .
H51 H 0.688370 0.516106 0.513478 0.065 Uiso 1 1 calc R U . . .
H52 H 0.750601 0.483507 0.572568 0.065 Uiso 1 1 calc R U . . .
H53 H 0.597112 0.468656 0.550698 0.065 Uiso 1 1 calc R U . . .
C29 C 0.81839(19) 0.37260(12) 0.65324(8) 0.0205(4) Uani 1 1 d . . . . .
C30 C 1.0265(2) 0.41937(17) 0.63611(11) 0.0387(6) Uani 1 1 d . . . . .
H54 H 1.098553 0.399439 0.617866 0.058 Uiso 1 1 calc R U . . .
H55 H 1.058023 0.423348 0.674898 0.058 Uiso 1 1 calc R U . . .
H56 H 0.996096 0.477393 0.622302 0.058 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
Sn1 N1 2.2115(15) . ?
Sn1 N2 2.2197(16) . ?
Sn1 C16 2.2750(18) . ?
Sn1 C1 2.6601(18) . ?
Si1 C19 1.9239(19) . ?
Si1 Si2 2.3610(7) . ?
Si1 Si3 2.3777(8) . ?
Si1 Si4 2.3779(8) . ?
Si2 C21 1.870(2) . ?
Si2 C22 1.871(3) . ?
Si2 C20 1.872(3) . ?
Si3 C23 1.872(2) . ?
Si3 C24 1.874(2) . ?
Si3 C25 1.885(2) . ?
Si4 C26 1.880(3) . ?
Si4 C27 1.883(3) . ?
Si4 C28 1.884(2) . ?
O1 C17 1.353(2) . ?
O1 C18 1.447(2) . ?
O2 C17 1.212(2) . ?
O3 C29 1.344(2) . ?
O3 C30 1.446(2) . ?
O4 C29 1.215(2) . ?
N1 C1 1.332(2) . ?
N1 C12 1.480(2) . ?
N2 C1 1.331(2) . ?
N2 C2 1.478(2) . ?
C1 C6 1.498(2) . ?
C2 C3 1.530(3) . ?
C2 C4 1.532(3) . ?
C2 C5 1.533(3) . ?
C3 H1 0.9800 . ?
C3 H2 0.9800 . ?
C3 H3 0.9800 . ?
C4 H4 0.9800 . ?
C4 H5 0.9800 . ?
C4 H6 0.9800 . ?
C5 H7 0.9800 . ?
C5 H8 0.9800 . ?
C5 H9 0.9800 . ?
C6 C11 1.391(3) . ?
C6 C7 1.392(3) . ?
C7 C8 1.387(3) . ?
C7 H14 0.9500 . ?
C8 C9 1.381(3) . ?
C8 H13 0.9500 . ?
C9 C10 1.387(3) . ?
C9 H12 0.9500 . ?
C10 C11 1.391(3) . ?
C10 H11 0.9500 . ?
C11 H10 0.9500 . ?
C12 C14 1.526(3) . ?
C12 C15 1.527(3) . ?
C12 C13 1.532(3) . ?
C13 H15 0.9800 . ?
C13 H16 0.9800 . ?
C13 H17 0.9800 . ?
C14 H18 0.9800 . ?
C14 H19 0.9800 . ?
C14 H20 0.9800 . ?
C15 H21 0.9800 . ?
C15 H22 0.9800 . ?
C15 H23 0.9800 . ?
C16 C19 1.347(2) . ?
C16 C17 1.476(3) . ?
C18 H24 0.9800 . ?
C18 H25 0.9800 . ?
C18 H26 0.9800 . ?
C19 C29 1.494(3) . ?
C20 H27 0.9800 . ?
C20 H28 0.9800 . ?
C20 H29 0.9800 . ?
C21 H30 0.9800 . ?
C21 H31 0.9800 . ?
C21 H32 0.9800 . ?
C22 H33 0.9800 . ?
C22 H34 0.9800 . ?
C22 H35 0.9800 . ?
C23 H36 0.9800 . ?
C23 H37 0.9800 . ?
C23 H38 0.9800 . ?
C24 H39 0.9800 . ?
C24 H40 0.9800 . ?
C24 H41 0.9800 . ?
C25 H42 0.9800 . ?
C25 H43 0.9800 . ?
C25 H44 0.9800 . ?
C26 H45 0.9800 . ?
C26 H46 0.9800 . ?
C26 H47 0.9800 . ?
C27 H48 0.9800 . ?
C27 H49 0.9800 . ?
C27 H50 0.9800 . ?
C28 H51 0.9800 . ?
C28 H52 0.9800 . ?
C28 H53 0.9800 . ?
C30 H54 0.9800 . ?
C30 H55 0.9800 . ?
C30 H56 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
N1 Sn1 N2 59.92(6) . . ?
N1 Sn1 C16 90.17(6) . . ?
N2 Sn1 C16 91.28(6) . . ?
N1 Sn1 C1 29.97(6) . . ?
N2 Sn1 C1 29.96(6) . . ?
C16 Sn1 C1 91.56(6) . . ?
C19 Si1 Si2 108.03(6) . . ?
C19 Si1 Si3 115.79(6) . . ?
Si2 Si1 Si3 110.18(3) . . ?
C19 Si1 Si4 105.99(6) . . ?
Si2 Si1 Si4 111.85(3) . . ?
Si3 Si1 Si4 104.97(3) . . ?
C21 Si2 C22 108.76(14) . . ?
C21 Si2 C20 107.83(12) . . ?
C22 Si2 C20 107.83(14) . . ?
C21 Si2 Si1 109.30(8) . . ?
C22 Si2 Si1 109.89(9) . . ?
C20 Si2 Si1 113.13(8) . . ?
C23 Si3 C24 108.06(11) . . ?
C23 Si3 C25 103.26(11) . . ?
C24 Si3 C25 110.52(11) . . ?
C23 Si3 Si1 118.31(8) . . ?
C24 Si3 Si1 109.90(8) . . ?
C25 Si3 Si1 106.50(8) . . ?
C26 Si4 C27 104.96(14) . . ?
C26 Si4 C28 109.51(13) . . ?
C27 Si4 C28 106.05(12) . . ?
C26 Si4 Si1 113.05(9) . . ?
C27 Si4 Si1 113.83(9) . . ?
C28 Si4 Si1 109.13(9) . . ?
C17 O1 C18 117.35(16) . . ?
C29 O3 C30 115.36(17) . . ?
C1 N1 C12 129.93(16) . . ?
C1 N1 Sn1 94.00(11) . . ?
C12 N1 Sn1 134.89(12) . . ?
C1 N2 C2 128.76(16) . . ?
C1 N2 Sn1 93.66(11) . . ?
C2 N2 Sn1 131.46(12) . . ?
N2 C1 N1 112.37(16) . . ?
N2 C1 C6 122.45(16) . . ?
N1 C1 C6 125.16(16) . . ?
N2 C1 Sn1 56.38(9) . . ?
N1 C1 Sn1 56.03(9) . . ?
C6 C1 Sn1 178.68(13) . . ?
N2 C2 C3 113.56(16) . . ?
N2 C2 C4 110.49(16) . . ?
C3 C2 C4 110.05(17) . . ?
N2 C2 C5 105.15(15) . . ?
C3 C2 C5 109.02(17) . . ?
C4 C2 C5 108.33(17) . . ?
C2 C3 H1 109.5 . . ?
C2 C3 H2 109.5 . . ?
H1 C3 H2 109.5 . . ?
C2 C3 H3 109.5 . . ?
H1 C3 H3 109.5 . . ?
H2 C3 H3 109.5 . . ?
C2 C4 H4 109.5 . . ?
C2 C4 H5 109.5 . . ?
H4 C4 H5 109.5 . . ?
C2 C4 H6 109.5 . . ?
H4 C4 H6 109.5 . . ?
H5 C4 H6 109.5 . . ?
C2 C5 H7 109.5 . . ?
C2 C5 H8 109.5 . . ?
H7 C5 H8 109.5 . . ?
C2 C5 H9 109.5 . . ?
H7 C5 H9 109.5 . . ?
H8 C5 H9 109.5 . . ?
C11 C6 C7 119.89(18) . . ?
C11 C6 C1 119.02(17) . . ?
C7 C6 C1 120.99(17) . . ?
C8 C7 C6 119.90(19) . . ?
C8 C7 H14 120.0 . . ?
C6 C7 H14 120.0 . . ?
C9 C8 C7 120.3(2) . . ?
C9 C8 H13 119.9 . . ?
C7 C8 H13 119.9 . . ?
C8 C9 C10 120.08(19) . . ?
C8 C9 H12 120.0 . . ?
C10 C9 H12 120.0 . . ?
C9 C10 C11 120.1(2) . . ?
C9 C10 H11 120.0 . . ?
C11 C10 H11 120.0 . . ?
C10 C11 C6 119.75(19) . . ?
C10 C11 H10 120.1 . . ?
C6 C11 H10 120.1 . . ?
N1 C12 C14 109.51(16) . . ?
N1 C12 C15 113.75(16) . . ?
C14 C12 C15 109.96(18) . . ?
N1 C12 C13 105.91(15) . . ?
C14 C12 C13 108.97(17) . . ?
C15 C12 C13 108.58(17) . . ?
C12 C13 H15 109.5 . . ?
C12 C13 H16 109.5 . . ?
H15 C13 H16 109.5 . . ?
C12 C13 H17 109.5 . . ?
H15 C13 H17 109.5 . . ?
H16 C13 H17 109.5 . . ?
C12 C14 H18 109.5 . . ?
C12 C14 H19 109.5 . . ?
H18 C14 H19 109.5 . . ?
C12 C14 H20 109.5 . . ?
H18 C14 H20 109.5 . . ?
H19 C14 H20 109.5 . . ?
C12 C15 H21 109.5 . . ?
C12 C15 H22 109.5 . . ?
H21 C15 H22 109.5 . . ?
C12 C15 H23 109.5 . . ?
H21 C15 H23 109.5 . . ?
H22 C15 H23 109.5 . . ?
C19 C16 C17 123.43(17) . . ?
C19 C16 Sn1 121.54(13) . . ?
C17 C16 Sn1 115.04(12) . . ?
O2 C17 O1 124.01(17) . . ?
O2 C17 C16 124.85(17) . . ?
O1 C17 C16 111.02(16) . . ?
O1 C18 H24 109.5 . . ?
O1 C18 H25 109.5 . . ?
H24 C18 H25 109.5 . . ?
O1 C18 H26 109.5 . . ?
H24 C18 H26 109.5 . . ?
H25 C18 H26 109.5 . . ?
C16 C19 C29 112.70(16) . . ?
C16 C19 Si1 131.15(14) . . ?
C29 C19 Si1 116.13(13) . . ?
Si2 C20 H27 109.5 . . ?
Si2 C20 H28 109.5 . . ?
H27 C20 H28 109.5 . . ?
Si2 C20 H29 109.5 . . ?
H27 C20 H29 109.5 . . ?
H28 C20 H29 109.5 . . ?
Si2 C21 H30 109.5 . . ?
Si2 C21 H31 109.5 . . ?
H30 C21 H31 109.5 . . ?
Si2 C21 H32 109.5 . . ?
H30 C21 H32 109.5 . . ?
H31 C21 H32 109.5 . . ?
Si2 C22 H33 109.5 . . ?
Si2 C22 H34 109.5 . . ?
H33 C22 H34 109.5 . . ?
Si2 C22 H35 109.5 . . ?
H33 C22 H35 109.5 . . ?
H34 C22 H35 109.5 . . ?
Si3 C23 H36 109.5 . . ?
Si3 C23 H37 109.5 . . ?
H36 C23 H37 109.5 . . ?
Si3 C23 H38 109.5 . . ?
H36 C23 H38 109.5 . . ?
H37 C23 H38 109.5 . . ?
Si3 C24 H39 109.5 . . ?
Si3 C24 H40 109.5 . . ?
H39 C24 H40 109.5 . . ?
Si3 C24 H41 109.5 . . ?
H39 C24 H41 109.5 . . ?
H40 C24 H41 109.5 . . ?
Si3 C25 H42 109.5 . . ?
Si3 C25 H43 109.5 . . ?
H42 C25 H43 109.5 . . ?
Si3 C25 H44 109.5 . . ?
H42 C25 H44 109.5 . . ?
H43 C25 H44 109.5 . . ?
Si4 C26 H45 109.5 . . ?
Si4 C26 H46 109.5 . . ?
H45 C26 H46 109.5 . . ?
Si4 C26 H47 109.5 . . ?
H45 C26 H47 109.5 . . ?
H46 C26 H47 109.5 . . ?
Si4 C27 H48 109.5 . . ?
Si4 C27 H49 109.5 . . ?
H48 C27 H49 109.5 . . ?
Si4 C27 H50 109.5 . . ?
H48 C27 H50 109.5 . . ?
H49 C27 H50 109.5 . . ?
Si4 C28 H51 109.5 . . ?
Si4 C28 H52 109.5 . . ?
H51 C28 H52 109.5 . . ?
Si4 C28 H53 109.5 . . ?
H51 C28 H53 109.5 . . ?
H52 C28 H53 109.5 . . ?
O4 C29 O3 122.17(18) . . ?
O4 C29 C19 125.51(18) . . ?
O3 C29 C19 112.29(16) . . ?
O3 C30 H54 109.5 . . ?
O3 C30 H55 109.5 . . ?
H54 C30 H55 109.5 . . ?
O3 C30 H56 109.5 . . ?
H54 C30 H56 109.5 . . ?
H55 C30 H56 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
C2 N2 C1 N1 156.69(18) . . . . ?
Sn1 N2 C1 N1 2.25(16) . . . . ?
C2 N2 C1 C6 -24.8(3) . . . . ?
Sn1 N2 C1 C6 -179.28(15) . . . . ?
C2 N2 C1 Sn1 154.4(2) . . . . ?
C12 N1 C1 N2 166.59(17) . . . . ?
Sn1 N1 C1 N2 -2.26(16) . . . . ?
C12 N1 C1 C6 -11.8(3) . . . . ?
Sn1 N1 C1 C6 179.32(16) . . . . ?
C12 N1 C1 Sn1 168.8(2) . . . . ?
C1 N2 C2 C3 59.5(3) . . . . ?
Sn1 N2 C2 C3 -155.59(14) . . . . ?
C1 N2 C2 C4 -64.7(2) . . . . ?
Sn1 N2 C2 C4 80.2(2) . . . . ?
C1 N2 C2 C5 178.58(19) . . . . ?
Sn1 N2 C2 C5 -36.5(2) . . . . ?
N2 C1 C6 C11 -83.3(2) . . . . ?
N1 C1 C6 C11 95.0(2) . . . . ?
N2 C1 C6 C7 93.1(2) . . . . ?
N1 C1 C6 C7 -88.6(2) . . . . ?
C11 C6 C7 C8 2.0(3) . . . . ?
C1 C6 C7 C8 -174.32(18) . . . . ?
C6 C7 C8 C9 -1.1(3) . . . . ?
C7 C8 C9 C10 -0.9(3) . . . . ?
C8 C9 C10 C11 1.9(3) . . . . ?
C9 C10 C11 C6 -1.0(3) . . . . ?
C7 C6 C11 C10 -1.0(3) . . . . ?
C1 C6 C11 C10 175.40(17) . . . . ?
C1 N1 C12 C14 -77.8(2) . . . . ?
Sn1 N1 C12 C14 86.4(2) . . . . ?
C1 N1 C12 C15 45.7(3) . . . . ?
Sn1 N1 C12 C15 -150.15(15) . . . . ?
C1 N1 C12 C13 164.82(19) . . . . ?
Sn1 N1 C12 C13 -31.0(2) . . . . ?
C18 O1 C17 O2 -2.4(3) . . . . ?
C18 O1 C17 C16 173.64(16) . . . . ?
C19 C16 C17 O2 -92.4(2) . . . . ?
Sn1 C16 C17 O2 87.9(2) . . . . ?
C19 C16 C17 O1 91.6(2) . . . . ?
Sn1 C16 C17 O1 -88.05(16) . . . . ?
C17 C16 C19 C29 -178.84(16) . . . . ?
Sn1 C16 C19 C29 0.8(2) . . . . ?
C17 C16 C19 Si1 -0.9(3) . . . . ?
Sn1 C16 C19 Si1 178.75(10) . . . . ?
C30 O3 C29 O4 2.4(3) . . . . ?
C30 O3 C29 C19 -175.72(18) . . . . ?
C16 C19 C29 O4 -32.6(3) . . . . ?
Si1 C19 C29 O4 149.18(17) . . . . ?
C16 C19 C29 O3 145.50(17) . . . . ?
Si1 C19 C29 O3 -32.8(2) . . . . ?

_refine_diff_density_max         0.608
_refine_diff_density_min         -0.871
_refine_diff_density_rms         0.065



