# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_fl160424t
_database_code_depnum_ccdc_archive 'CCDC 1989146'
loop_
_audit_author_name
_audit_author_address
'Felicitas Lips'
;Westfaelische Wilhelms Universitaet Muenster
Germany
;
_audit_update_record             
;
2020-03-09 deposited with the CCDC.	2020-05-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C66 H118 N4 Si10'
_chemical_formula_weight         1248.54

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'
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                   13.4808(9)
_cell_length_b                   14.1304(10)
_cell_length_c                   20.7309(15)
_cell_angle_alpha                81.160(2)
_cell_angle_beta                 85.017(2)
_cell_angle_gamma                77.197(2)
_cell_volume                     3799.4(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    116(2)
_cell_measurement_reflns_used    9454
_cell_measurement_theta_min      2.29
_cell_measurement_theta_max      27.13

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.091
_exptl_crystal_F_000             1364
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.845
_exptl_crystal_size_mid          0.501
_exptl_crystal_size_min          0.385
_exptl_absorpt_coefficient_mu    0.211
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6183
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      116(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            39610
_diffrn_reflns_av_unetI/netI     0.0448
_diffrn_reflns_av_R_equivalents  0.0299
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         1.889
_diffrn_reflns_theta_max         27.140
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measured_fraction_theta_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_point_group_measured_fraction_full 0.994
_reflns_number_total             16495
_reflns_number_gt                13915
_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-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'SHELXL-2014 (Sheldrick 2014)'
_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)+(0.0419P)²+1.5496P] 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         16495
_refine_ls_number_parameters     808
_refine_ls_number_restraints     184
_refine_ls_R_factor_all          0.0476
_refine_ls_R_factor_gt           0.0354
_refine_ls_wR_factor_ref         0.0935
_refine_ls_wR_factor_gt          0.0881
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_restrained_S_all      1.015
_refine_ls_shift/su_max          0.000
_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
Si1 Si 0.20616(3) 0.93188(3) 0.79797(2) 0.01370(8) Uani 1 1 d . . . . .
Si2 Si 0.16104(3) 0.82581(3) 0.73904(2) 0.01563(9) Uani 1 1 d . . . . .
Si3 Si 0.32585(3) 0.73796(3) 0.69062(2) 0.01411(8) Uani 1 1 d . . . . .
Si4 Si 0.32257(3) 0.89894(3) 0.69764(2) 0.01600(9) Uani 1 1 d . . . . .
Si5 Si 0.36971(3) 0.83559(3) 0.80687(2) 0.01330(8) Uani 1 1 d . . . . .
Si6 Si 0.28514(3) 0.70777(3) 0.80229(2) 0.01265(8) Uani 1 1 d . . . . .
Si7 Si 0.13160(3) 1.13049(3) 0.85516(2) 0.01759(9) Uani 1 1 d . . . . .
Si8 Si 0.34765(3) 0.57833(3) 0.59767(2) 0.01923(9) Uani 1 1 d . . . . .
Si9 Si 0.50789(3) 0.84794(3) 0.91680(2) 0.01885(9) Uani 1 1 d . . . . .
Si10 Si 0.33250(3) 0.49397(3) 0.87503(2) 0.01757(9) Uani 1 1 d . . . . .
N1 N 0.13001(9) 1.04734(8) 0.80030(6) 0.0151(2) Uani 1 1 d . . . . .
N2 N 0.32187(9) 0.69947(8) 0.61557(6) 0.0162(2) Uani 1 1 d . . . . .
N3 N 0.48265(9) 0.85032(9) 0.83479(6) 0.0159(2) Uani 1 1 d . . . . .
N4 N 0.25235(8) 0.60928(8) 0.85446(6) 0.0146(2) Uani 1 1 d . . . . .
C1 C 0.04849(11) 1.07146(10) 0.75489(7) 0.0158(3) Uani 1 1 d . . . . .
C2 C -0.04562(11) 1.04506(11) 0.77493(7) 0.0196(3) Uani 1 1 d . . . . .
C3 C -0.12271(12) 1.07029(12) 0.73096(8) 0.0256(3) Uani 1 1 d . . . . .
H3 H -0.186320 1.052568 0.743582 0.031 Uiso 1 1 calc R U . . .
C4 C -0.10873(13) 1.12052(13) 0.66942(8) 0.0314(4) Uani 1 1 d . . . . .
H4 H -0.162634 1.137991 0.640366 0.038 Uiso 1 1 calc R U . . .
C5 C -0.01634(13) 1.14512(12) 0.65038(8) 0.0293(4) Uani 1 1 d . . . . .
H5 H -0.007267 1.179619 0.607949 0.035 Uiso 1 1 calc R U . . .
C6 C 0.06442(12) 1.12065(11) 0.69187(7) 0.0203(3) Uani 1 1 d . . . . .
C7 C -0.06827(12) 0.99117(12) 0.84176(8) 0.0259(3) Uani 1 1 d . . . . .
H7 H -0.007188 0.981801 0.868051 0.031 Uiso 1 1 calc R U . . .
C8 C -0.15915(14) 1.04995(14) 0.87803(9) 0.0336(4) Uani 1 1 d . . . . .
H8A H -0.146952 1.115135 0.880429 0.050 Uiso 1 1 calc R U . . .
H8B H -0.167839 1.015838 0.922351 0.050 Uiso 1 1 calc R U . . .
H8C H -0.220910 1.056569 0.854572 0.050 Uiso 1 1 calc R U . . .
C9 C -0.08861(15) 0.89019(13) 0.83781(11) 0.0422(5) Uani 1 1 d . . . . .
H9A H -0.148846 0.897529 0.812705 0.063 Uiso 1 1 calc R U . . .
H9B H -0.100526 0.857130 0.882025 0.063 Uiso 1 1 calc R U . . .
H9C H -0.029520 0.851088 0.816150 0.063 Uiso 1 1 calc R U . . .
C10 C 0.16477(12) 1.14845(11) 0.66641(8) 0.0237(3) Uani 1 1 d . . . . .
H10 H 0.217970 1.112317 0.697214 0.028 Uiso 1 1 calc R U . . .
C11 C 0.15942(15) 1.25828(12) 0.66435(10) 0.0364(4) Uani 1 1 d . . . . .
H11A H 0.106812 1.295555 0.635042 0.055 Uiso 1 1 calc R U . . .
H11B H 0.225505 1.273302 0.648269 0.055 Uiso 1 1 calc R U . . .
H11C H 0.142512 1.276245 0.708413 0.055 Uiso 1 1 calc R U . . .
C12 C 0.19891(14) 1.11895(13) 0.59838(8) 0.0333(4) Uani 1 1 d . . . . .
H12A H 0.196481 1.050093 0.598640 0.050 Uiso 1 1 calc R U . . .
H12B H 0.268718 1.127721 0.587068 0.050 Uiso 1 1 calc R U . . .
H12C H 0.153320 1.160222 0.566020 0.050 Uiso 1 1 calc R U . . .
C13 C 0.02131(12) 1.23499(11) 0.84074(8) 0.0240(3) Uani 1 1 d . . . . .
H13A H 0.023674 1.264063 0.794708 0.036 Uiso 1 1 calc R U . . .
H13B H 0.024239 1.284428 0.868495 0.036 Uiso 1 1 calc R U . . .
H13C H -0.042180 1.211625 0.851399 0.036 Uiso 1 1 calc R U . . .
C14 C 0.25221(12) 1.17556(12) 0.84257(9) 0.0297(4) Uani 1 1 d . . . . .
H14A H 0.310124 1.119967 0.849505 0.044 Uiso 1 1 calc R U . . .
H14B H 0.252400 1.221147 0.873711 0.044 Uiso 1 1 calc R U . . .
H14C H 0.257717 1.209357 0.797862 0.044 Uiso 1 1 calc R U . . .
C15 C 0.12063(13) 1.07167(12) 0.94161(8) 0.0284(4) Uani 1 1 d . . . . .
H15A H 0.053452 1.055181 0.950720 0.043 Uiso 1 1 calc R U . . .
H15B H 0.128968 1.117104 0.971006 0.043 Uiso 1 1 calc R U . . .
H15C H 0.173704 1.011806 0.948537 0.043 Uiso 1 1 calc R U . . .
C16 C 0.30400(12) 0.78023(10) 0.56224(7) 0.0194(3) Uani 1 1 d . . . . .
C17 C 0.20334(13) 0.82233(11) 0.54458(7) 0.0239(3) Uani 1 1 d . . . . .
C18 C 0.18858(15) 0.90000(13) 0.49403(8) 0.0344(4) Uani 1 1 d . . . . .
H18 H 0.121433 0.928604 0.480997 0.041 Uiso 1 1 calc R U . . .
C19 C 0.26910(17) 0.93643(13) 0.46241(9) 0.0410(5) Uani 1 1 d . . . . .
H19 H 0.257080 0.990338 0.428446 0.049 Uiso 1 1 calc R U . . .
C20 C 0.36661(16) 0.89501(13) 0.47985(8) 0.0353(4) Uani 1 1 d . . . . .
H20 H 0.421561 0.920492 0.457350 0.042 Uiso 1 1 calc R U . . .
C21 C 0.38715(13) 0.81634(12) 0.52986(8) 0.0255(3) Uani 1 1 d . . . . .
C22 C 0.49683(14) 0.77412(14) 0.54660(9) 0.0352(4) Uani 1 1 d . . . . .
H22 H 0.496899 0.720077 0.583922 0.042 Uiso 1 1 calc R U . . .
C23 C 0.54754(17) 0.85004(19) 0.56815(11) 0.0548(6) Uani 1 1 d . . . . .
H23A H 0.551758 0.902239 0.531608 0.082 Uiso 1 1 calc R U . . .
H23B H 0.616256 0.818396 0.581723 0.082 Uiso 1 1 calc R U . . .
H23C H 0.507057 0.878103 0.604904 0.082 Uiso 1 1 calc R U . . .
C24 C 0.56082(15) 0.73033(16) 0.48932(11) 0.0473(5) Uani 1 1 d . . . . .
H24A H 0.529832 0.680197 0.476199 0.071 Uiso 1 1 calc R U . . .
H24B H 0.630035 0.700561 0.502766 0.071 Uiso 1 1 calc R U . . .
H24C H 0.563524 0.782220 0.452357 0.071 Uiso 1 1 calc R U . . .
C25 C 0.11166(12) 0.78513(12) 0.57737(8) 0.0270(4) Uani 1 1 d . . . . .
H25 H 0.132855 0.744517 0.619789 0.032 Uiso 1 1 calc R U . . .
C26 C 0.02243(14) 0.86829(16) 0.59256(10) 0.0441(5) Uani 1 1 d . . . . .
H26A H 0.047160 0.914908 0.614199 0.066 Uiso 1 1 calc R U . . .
H26B H -0.028940 0.841126 0.621443 0.066 Uiso 1 1 calc R U . . .
H26C H -0.007998 0.902006 0.551767 0.066 Uiso 1 1 calc R U . . .
C27 C 0.07554(16) 0.71946(16) 0.53590(10) 0.0435(5) Uani 1 1 d . . . . .
H27A H 0.055677 0.757121 0.493530 0.065 Uiso 1 1 calc R U . . .
H27B H 0.016925 0.695958 0.558646 0.065 Uiso 1 1 calc R U . . .
H27C H 0.130951 0.663356 0.529034 0.065 Uiso 1 1 calc R U . . .
C28 C 0.24829(14) 0.51265(12) 0.63727(9) 0.0298(4) Uani 1 1 d . . . . .
H28A H 0.246083 0.511971 0.684713 0.045 Uiso 1 1 calc R U . . .
H28B H 0.264592 0.445177 0.627263 0.045 Uiso 1 1 calc R U . . .
H28C H 0.181826 0.546174 0.620718 0.045 Uiso 1 1 calc R U . . .
C29 C 0.47327(13) 0.51245(12) 0.62867(8) 0.0292(4) Uani 1 1 d . . . . .
H29A H 0.527522 0.539302 0.602706 0.044 Uiso 1 1 calc R U . . .
H29B H 0.483085 0.442596 0.625083 0.044 Uiso 1 1 calc R U . . .
H29C H 0.475440 0.520723 0.674568 0.044 Uiso 1 1 calc R U . . .
C30 C 0.35084(14) 0.58006(13) 0.50753(8) 0.0310(4) Uani 1 1 d . . . . .
H30A H 0.287132 0.620415 0.490562 0.047 Uiso 1 1 calc R U . . .
H30B H 0.358704 0.513062 0.497673 0.047 Uiso 1 1 calc R U . . .
H30C H 0.408365 0.607594 0.486927 0.047 Uiso 1 1 calc R U . . .
C31 C 0.56420(10) 0.85991(11) 0.78481(7) 0.0171(3) Uani 1 1 d . . . . .
C32 C 0.63291(11) 0.77558(11) 0.76893(7) 0.0193(3) Uani 1 1 d . . . . .
C33 C 0.71568(12) 0.78636(12) 0.72517(8) 0.0252(3) Uani 1 1 d . . . . .
H33 H 0.763411 0.729711 0.714721 0.030 Uiso 1 1 calc R U . . .
C34 C 0.72940(12) 0.87781(13) 0.69683(8) 0.0281(4) Uani 1 1 d . . . . .
H34 H 0.787428 0.884135 0.668375 0.034 Uiso 1 1 calc R U . . .
C35 C 0.65841(12) 0.95988(12) 0.71007(8) 0.0264(3) Uani 1 1 d . . . . .
H35 H 0.666645 1.022496 0.688981 0.032 Uiso 1 1 calc R U . . .
C36 C 0.57477(11) 0.95320(11) 0.75369(7) 0.0204(3) Uani 1 1 d . . . . .
C37 C 0.61841(11) 0.67332(11) 0.79565(8) 0.0221(3) Uani 1 1 d . . . . .
H37 H 0.554635 0.679729 0.824597 0.027 Uiso 1 1 calc R U . . .
C38 C 0.70579(13) 0.61339(13) 0.83628(9) 0.0318(4) Uani 1 1 d . . . . .
H38A H 0.768731 0.603161 0.808431 0.048 Uiso 1 1 calc R U . . .
H38B H 0.690274 0.549804 0.854667 0.048 Uiso 1 1 calc R U . . .
H38C H 0.714513 0.648675 0.871851 0.048 Uiso 1 1 calc R U . . .
C39 C 0.60470(13) 0.61848(12) 0.74036(9) 0.0316(4) Uani 1 1 d . . . . .
H39A H 0.548879 0.657275 0.714077 0.047 Uiso 1 1 calc R U . . .
H39B H 0.588621 0.555138 0.758773 0.047 Uiso 1 1 calc R U . . .
H39C H 0.667788 0.607759 0.712682 0.047 Uiso 1 1 calc R U . . .
C40 C 0.49910(12) 1.04658(11) 0.76593(8) 0.0249(3) Uani 1 1 d . . . . .
H40 H 0.438131 1.027417 0.790995 0.030 Uiso 1 1 calc R U . . .
C41 C 0.46327(13) 1.10984(13) 0.70204(9) 0.0337(4) Uani 1 1 d . . . . .
H41A H 0.520653 1.134117 0.678133 0.051 Uiso 1 1 calc R U . . .
H41B H 0.409178 1.165470 0.711861 0.051 Uiso 1 1 calc R U . . .
H41C H 0.437051 1.070448 0.675226 0.051 Uiso 1 1 calc R U . . .
C42 C 0.54350(14) 1.10633(13) 0.80726(10) 0.0372(4) Uani 1 1 d . . . . .
H42A H 0.563169 1.066352 0.848967 0.056 Uiso 1 1 calc R U . . .
H42B H 0.492211 1.164836 0.815522 0.056 Uiso 1 1 calc R U . . .
H42C H 0.603549 1.126079 0.783761 0.056 Uiso 1 1 calc R U . . .
C43 C 0.64147(12) 0.85940(13) 0.92227(8) 0.0268(3) Uani 1 1 d . . . . .
H43A H 0.688203 0.803700 0.905684 0.040 Uiso 1 1 calc R U . . .
H43B H 0.654433 0.860001 0.967979 0.040 Uiso 1 1 calc R U . . .
H43C H 0.652217 0.920529 0.896038 0.040 Uiso 1 1 calc R U . . .
C44 C 0.48997(13) 0.73119(13) 0.96668(8) 0.0292(4) Uani 1 1 d . . . . .
H44A H 0.421813 0.721064 0.961043 0.044 Uiso 1 1 calc R U . . .
H44B H 0.497255 0.734356 1.012882 0.044 Uiso 1 1 calc R U . . .
H44C H 0.541399 0.676617 0.952408 0.044 Uiso 1 1 calc R U . . .
C45 C 0.41666(13) 0.94883(13) 0.95171(8) 0.0300(4) Uani 1 1 d . . . . .
H45A H 0.431042 1.011968 0.931183 0.045 Uiso 1 1 calc R U . . .
H45B H 0.423870 0.941618 0.998952 0.045 Uiso 1 1 calc R U . . .
H45C H 0.346950 0.946093 0.943409 0.045 Uiso 1 1 calc R U . . .
C46 C 0.14925(10) 0.62587(10) 0.88457(7) 0.0164(3) Uani 1 1 d . . . . .
C47 C 0.13098(11) 0.65776(11) 0.94598(7) 0.0203(3) Uani 1 1 d . . . . .
C48 C 0.03351(12) 0.66599(13) 0.97626(8) 0.0284(4) Uani 1 1 d . . . . .
H48 H 0.020673 0.686795 1.018209 0.034 Uiso 1 1 calc R U . . .
C49 C -0.04434(13) 0.64442(14) 0.94628(9) 0.0351(4) Uani 1 1 d . . . . .
H49 H -0.110144 0.649325 0.967691 0.042 Uiso 1 1 calc R U . . .
C50 C -0.02626(12) 0.61568(13) 0.88508(9) 0.0303(4) Uani 1 1 d . . . . .
H50 H -0.080602 0.601613 0.864534 0.036 Uiso 1 1 calc R U . . .
C51 C 0.06936(11) 0.60664(11) 0.85242(8) 0.0202(3) Uani 1 1 d . . . . .
C52 C 0.21207(12) 0.68697(12) 0.98037(8) 0.0255(3) Uani 1 1 d . . . . .
H52 H 0.277208 0.673849 0.953054 0.031 Uiso 1 1 calc R U . . .
C53 C 0.18482(15) 0.79607(13) 0.98512(9) 0.0356(4) Uani 1 1 d . . . . .
H53A H 0.175776 0.833024 0.941230 0.053 Uiso 1 1 calc R U . . .
H53B H 0.239744 0.814442 1.005174 0.053 Uiso 1 1 calc R U . . .
H53C H 0.121373 0.811068 1.012009 0.053 Uiso 1 1 calc R U . . .
C54 C 0.23102(16) 0.62868(15) 1.04802(9) 0.0406(5) Uani 1 1 d . . . . .
H54A H 0.168241 0.640051 1.075945 0.061 Uiso 1 1 calc R U . . .
H54B H 0.284834 0.649812 1.067395 0.061 Uiso 1 1 calc R U . . .
H54C H 0.252158 0.558706 1.044195 0.061 Uiso 1 1 calc R U . . .
C55 C 0.08317(12) 0.57512(11) 0.78513(8) 0.0230(3) Uani 1 1 d . . . . .
H55 H 0.152431 0.582287 0.766361 0.028 Uiso 1 1 calc R U . . .
C56 C 0.00442(12) 0.63808(12) 0.73847(8) 0.0277(4) Uani 1 1 d . . . . .
H56A H -0.063746 0.628299 0.754204 0.042 Uiso 1 1 calc R U . . .
H56B H 0.020101 0.618887 0.694648 0.042 Uiso 1 1 calc R U . . .
H56C H 0.006566 0.707304 0.736718 0.042 Uiso 1 1 calc R U . . .
C57 C 0.07730(14) 0.46743(12) 0.78905(10) 0.0342(4) Uani 1 1 d . . . . .
H57A H 0.129457 0.426575 0.817391 0.051 Uiso 1 1 calc R U . . .
H57B H 0.088943 0.448003 0.745169 0.051 Uiso 1 1 calc R U . . .
H57C H 0.009754 0.458766 0.807100 0.051 Uiso 1 1 calc R U . . .
C58 C 0.26497(12) 0.41853(11) 0.93786(8) 0.0267(3) Uani 1 1 d . . . . .
H58A H 0.250707 0.449556 0.977771 0.040 Uiso 1 1 calc R U . . .
H58B H 0.307868 0.352903 0.947650 0.040 Uiso 1 1 calc R U . . .
H58C H 0.200765 0.413378 0.921253 0.040 Uiso 1 1 calc R U . . .
C59 C 0.36919(15) 0.42792(12) 0.80276(9) 0.0345(4) Uani 1 1 d . . . . .
H59A H 0.308327 0.413932 0.786824 0.052 Uiso 1 1 calc R U . . .
H59B H 0.417629 0.366265 0.815250 0.052 Uiso 1 1 calc R U . . .
H59C H 0.400936 0.468749 0.768127 0.052 Uiso 1 1 calc R U . . .
C60 C 0.45173(12) 0.50860(12) 0.90739(10) 0.0323(4) Uani 1 1 d . . . . .
H60A H 0.483151 0.554180 0.876074 0.048 Uiso 1 1 calc R U . . .
H60B H 0.499057 0.444823 0.914002 0.048 Uiso 1 1 calc R U . . .
H60C H 0.435853 0.534513 0.949166 0.048 Uiso 1 1 calc R U . . .
C61A C 0.1409(4) 1.4154(4) 1.4797(3) 0.0518(14) Uani 0.487(6) 1 d D U P A 1
H61A H 0.150877 1.460970 1.508523 0.078 Uiso 0.487(6) 1 calc R U P A 1
H61B H 0.181321 1.349917 1.493943 0.078 Uiso 0.487(6) 1 calc R U P A 1
H61C H 0.068623 1.412767 1.481696 0.078 Uiso 0.487(6) 1 calc R U P A 1
C62A C 0.1747(5) 1.4503(4) 1.4099(3) 0.0449(15) Uani 0.487(6) 1 d D U P A 1
H62A H 0.247253 1.454420 1.408441 0.054 Uiso 0.487(6) 1 calc R U P A 1
H62B H 0.168976 1.401561 1.381582 0.054 Uiso 0.487(6) 1 calc R U P A 1
C63A C 0.1122(4) 1.5491(5) 1.3834(3) 0.0466(14) Uani 0.487(6) 1 d D U P A 1
H63A H 0.113416 1.596012 1.414061 0.056 Uiso 0.487(6) 1 calc R U P A 1
H63B H 0.040632 1.543126 1.382068 0.056 Uiso 0.487(6) 1 calc R U P A 1
C64A C 0.1482(5) 1.5915(4) 1.3151(3) 0.0476(14) Uani 0.487(6) 1 d D U P A 1
H64A H 0.153975 1.541482 1.285514 0.057 Uiso 0.487(6) 1 calc R U P A 1
H64B H 0.095259 1.648589 1.298580 0.057 Uiso 0.487(6) 1 calc R U P A 1
C65A C 0.2488(5) 1.6234(4) 1.3110(3) 0.0479(14) Uani 0.487(6) 1 d D U P A 1
H65A H 0.244169 1.672801 1.340878 0.057 Uiso 0.487(6) 1 calc R U P A 1
H65B H 0.302798 1.566232 1.325999 0.057 Uiso 0.487(6) 1 calc R U P A 1
C66A C 0.2781(6) 1.6661(5) 1.2432(4) 0.0628(19) Uani 0.487(6) 1 d D U P A 1
H66A H 0.280806 1.618267 1.213186 0.094 Uiso 0.487(6) 1 calc R U P A 1
H66B H 0.345082 1.682516 1.242706 0.094 Uiso 0.487(6) 1 calc R U P A 1
H66C H 0.227393 1.725602 1.229334 0.094 Uiso 0.487(6) 1 calc R U P A 1
C61B C 0.1637(7) 1.4231(7) 1.4361(5) 0.091(3) Uani 0.513(6) 1 d . U P A 2
H61D H 0.169124 1.370362 1.409445 0.137 Uiso 0.513(6) 1 calc R U P A 2
H61E H 0.141137 1.401164 1.481006 0.137 Uiso 0.513(6) 1 calc R U P A 2
H61F H 0.230335 1.440126 1.435971 0.137 Uiso 0.513(6) 1 calc R U P A 2
C62B C 0.0881(5) 1.5110(5) 1.4083(4) 0.0669(18) Uani 0.513(6) 1 d . U P A 2
H62C H 0.080818 1.562413 1.436905 0.080 Uiso 0.513(6) 1 calc R U P A 2
H62D H 0.021162 1.492904 1.409027 0.080 Uiso 0.513(6) 1 calc R U P A 2
C63B C 0.1149(4) 1.5535(4) 1.3397(4) 0.0508(14) Uani 0.513(6) 1 d . U P A 2
H63C H 0.055600 1.604165 1.323659 0.061 Uiso 0.513(6) 1 calc R U P A 2
H63D H 0.125871 1.500921 1.311657 0.061 Uiso 0.513(6) 1 calc R U P A 2
C64B C 0.2077(5) 1.5990(4) 1.3307(3) 0.0460(13) Uani 0.513(6) 1 d . U P A 2
H64C H 0.199038 1.649353 1.360206 0.055 Uiso 0.513(6) 1 calc R U P A 2
H64D H 0.268338 1.547703 1.343524 0.055 Uiso 0.513(6) 1 calc R U P A 2
C65B C 0.2262(4) 1.6450(4) 1.2623(3) 0.0537(15) Uani 0.513(6) 1 d . U P A 2
H65C H 0.167166 1.698783 1.250485 0.064 Uiso 0.513(6) 1 calc R U P A 2
H65D H 0.230503 1.595538 1.232585 0.064 Uiso 0.513(6) 1 calc R U P A 2
C66B C 0.3225(5) 1.6857(5) 1.2515(4) 0.072(2) Uani 0.513(6) 1 d . U P A 2
H66D H 0.318867 1.735079 1.280580 0.107 Uiso 0.513(6) 1 calc R U P A 2
H66E H 0.328905 1.715855 1.205968 0.107 Uiso 0.513(6) 1 calc R U P A 2
H66F H 0.381799 1.632426 1.261139 0.107 Uiso 0.513(6) 1 calc R U P A 2


_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
Si1 N1 1.7296(12) . ?
Si1 Si2 2.2813(5) . ?
Si1 Si5 2.3261(5) . ?
Si1 Si4 2.5322(6) . ?
Si2 Si6 2.4026(5) . ?
Si2 Si3 2.5017(6) . ?
Si2 Si4 2.6356(6) . ?
Si3 N2 1.7339(12) . ?
Si3 Si4 2.2922(5) . ?
Si3 Si6 2.3286(6) . ?
Si4 Si5 2.3890(6) . ?
Si5 N3 1.7398(12) . ?
Si5 Si6 2.3568(5) . ?
Si6 N4 1.7404(12) . ?
Si7 N1 1.7608(12) . ?
Si7 C13 1.8571(15) . ?
Si7 C14 1.8578(17) . ?
Si7 C15 1.8641(17) . ?
Si8 N2 1.7601(12) . ?
Si8 C29 1.8584(17) . ?
Si8 C28 1.8588(17) . ?
Si8 C30 1.8619(17) . ?
Si9 N3 1.7566(13) . ?
Si9 C43 1.8579(15) . ?
Si9 C45 1.8584(17) . ?
Si9 C44 1.8597(17) . ?
Si10 N4 1.7580(12) . ?
Si10 C60 1.8584(17) . ?
Si10 C59 1.8591(18) . ?
Si10 C58 1.8598(16) . ?
N1 C1 1.4579(17) . ?
N2 C16 1.4558(18) . ?
N3 C31 1.4579(18) . ?
N4 C46 1.4582(17) . ?
C1 C6 1.405(2) . ?
C1 C2 1.411(2) . ?
C2 C3 1.392(2) . ?
C2 C7 1.516(2) . ?
C3 C4 1.381(2) . ?
C3 H3 0.9500 . ?
C4 C5 1.376(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.396(2) . ?
C5 H5 0.9500 . ?
C6 C10 1.520(2) . ?
C7 C9 1.527(2) . ?
C7 C8 1.529(2) . ?
C7 H7 1.0000 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C11 1.532(2) . ?
C10 C12 1.535(2) . ?
C10 H10 1.0000 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C21 1.409(2) . ?
C16 C17 1.411(2) . ?
C17 C18 1.389(2) . ?
C17 C25 1.516(2) . ?
C18 C19 1.376(3) . ?
C18 H18 0.9500 . ?
C19 C20 1.370(3) . ?
C19 H19 0.9500 . ?
C20 C21 1.395(2) . ?
C20 H20 0.9500 . ?
C21 C22 1.516(2) . ?
C22 C23 1.531(3) . ?
C22 C24 1.532(3) . ?
C22 H22 1.0000 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.532(2) . ?
C25 C27 1.535(2) . ?
C25 H25 1.0000 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C32 1.402(2) . ?
C31 C36 1.407(2) . ?
C32 C33 1.396(2) . ?
C32 C37 1.514(2) . ?
C33 C34 1.380(2) . ?
C33 H33 0.9500 . ?
C34 C35 1.377(2) . ?
C34 H34 0.9500 . ?
C35 C36 1.394(2) . ?
C35 H35 0.9500 . ?
C36 C40 1.519(2) . ?
C37 C39 1.524(2) . ?
C37 C38 1.525(2) . ?
C37 H37 1.0000 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 C42 1.530(2) . ?
C40 C41 1.531(2) . ?
C40 H40 1.0000 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 C47 1.399(2) . ?
C46 C51 1.410(2) . ?
C47 C48 1.395(2) . ?
C47 C52 1.516(2) . ?
C48 C49 1.376(2) . ?
C48 H48 0.9500 . ?
C49 C50 1.376(3) . ?
C49 H49 0.9500 . ?
C50 C51 1.392(2) . ?
C50 H50 0.9500 . ?
C51 C55 1.513(2) . ?
C52 C53 1.520(2) . ?
C52 C54 1.525(2) . ?
C52 H52 1.0000 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 C57 1.531(2) . ?
C55 C56 1.533(2) . ?
C55 H55 1.0000 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61A C62A 1.520(8) . ?
C61A H61A 0.9800 . ?
C61A H61B 0.9800 . ?
C61A H61C 0.9800 . ?
C62A C63A 1.512(7) . ?
C62A H62A 0.9900 . ?
C62A H62B 0.9900 . ?
C63A C64A 1.533(8) . ?
C63A H63A 0.9900 . ?
C63A H63B 0.9900 . ?
C64A C65A 1.513(7) . ?
C64A H64A 0.9900 . ?
C64A H64B 0.9900 . ?
C65A C66A 1.499(9) . ?
C65A H65A 0.9900 . ?
C65A H65B 0.9900 . ?
C66A H66A 0.9800 . ?
C66A H66B 0.9800 . ?
C66A H66C 0.9800 . ?
C61B C62B 1.495(10) . ?
C61B H61D 0.9800 . ?
C61B H61E 0.9800 . ?
C61B H61F 0.9800 . ?
C62B C63B 1.502(9) . ?
C62B H62C 0.9900 . ?
C62B H62D 0.9900 . ?
C63B C64B 1.515(7) . ?
C63B H63C 0.9900 . ?
C63B H63D 0.9900 . ?
C64B C65B 1.489(9) . ?
C64B H64C 0.9900 . ?
C64B H64D 0.9900 . ?
C65B C66B 1.519(8) . ?
C65B H65C 0.9900 . ?
C65B H65D 0.9900 . ?
C66B H66D 0.9800 . ?
C66B H66E 0.9800 . ?
C66B H66F 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 Si1 Si2 119.96(4) . . ?
N1 Si1 Si5 146.08(4) . . ?
Si2 Si1 Si5 91.154(19) . . ?
N1 Si1 Si4 119.11(4) . . ?
Si2 Si1 Si4 66.158(17) . . ?
Si5 Si1 Si4 58.726(16) . . ?
Si1 Si2 Si6 82.809(18) . . ?
Si1 Si2 Si3 104.68(2) . . ?
Si6 Si2 Si3 56.651(15) . . ?
Si1 Si2 Si4 61.496(16) . . ?
Si6 Si2 Si4 81.609(17) . . ?
Si3 Si2 Si4 52.920(15) . . ?
N2 Si3 Si4 120.78(4) . . ?
N2 Si3 Si6 144.75(5) . . ?
Si4 Si3 Si6 91.042(19) . . ?
N2 Si3 Si2 116.71(4) . . ?
Si4 Si3 Si2 66.538(17) . . ?
Si6 Si3 Si2 59.527(16) . . ?
Si3 Si4 Si5 83.345(18) . . ?
Si3 Si4 Si1 103.399(19) . . ?
Si5 Si4 Si1 56.324(16) . . ?
Si3 Si4 Si2 60.542(16) . . ?
Si5 Si4 Si2 81.666(17) . . ?
Si1 Si4 Si2 52.345(14) . . ?
N3 Si5 Si1 134.63(4) . . ?
N3 Si5 Si6 138.31(4) . . ?
Si1 Si5 Si6 82.872(18) . . ?
N3 Si5 Si4 121.04(4) . . ?
Si1 Si5 Si4 64.950(17) . . ?
Si6 Si5 Si4 88.009(18) . . ?
N4 Si6 Si3 134.58(4) . . ?
N4 Si6 Si5 138.25(4) . . ?
Si3 Si6 Si5 83.278(18) . . ?
N4 Si6 Si2 121.69(4) . . ?
Si3 Si6 Si2 63.822(17) . . ?
Si5 Si6 Si2 87.478(18) . . ?
N1 Si7 C13 108.54(6) . . ?
N1 Si7 C14 110.34(7) . . ?
C13 Si7 C14 109.89(8) . . ?
N1 Si7 C15 111.13(7) . . ?
C13 Si7 C15 108.54(8) . . ?
C14 Si7 C15 108.39(8) . . ?
N2 Si8 C29 109.25(7) . . ?
N2 Si8 C28 110.77(7) . . ?
C29 Si8 C28 108.77(8) . . ?
N2 Si8 C30 109.33(7) . . ?
C29 Si8 C30 109.47(8) . . ?
C28 Si8 C30 109.24(8) . . ?
N3 Si9 C43 109.88(7) . . ?
N3 Si9 C45 109.49(7) . . ?
C43 Si9 C45 110.93(8) . . ?
N3 Si9 C44 110.93(7) . . ?
C43 Si9 C44 108.48(8) . . ?
C45 Si9 C44 107.09(8) . . ?
N4 Si10 C60 110.10(7) . . ?
N4 Si10 C59 111.65(7) . . ?
C60 Si10 C59 107.47(9) . . ?
N4 Si10 C58 109.19(7) . . ?
C60 Si10 C58 109.80(8) . . ?
C59 Si10 C58 108.59(8) . . ?
C1 N1 Si1 113.60(9) . . ?
C1 N1 Si7 117.85(9) . . ?
Si1 N1 Si7 128.20(7) . . ?
C16 N2 Si3 112.97(9) . . ?
C16 N2 Si8 119.13(9) . . ?
Si3 N2 Si8 127.62(7) . . ?
C31 N3 Si5 115.60(9) . . ?
C31 N3 Si9 118.39(9) . . ?
Si5 N3 Si9 125.92(7) . . ?
C46 N4 Si6 116.19(9) . . ?
C46 N4 Si10 117.74(9) . . ?
Si6 N4 Si10 126.05(7) . . ?
C6 C1 C2 120.84(13) . . ?
C6 C1 N1 119.73(13) . . ?
C2 C1 N1 119.43(13) . . ?
C3 C2 C1 118.27(14) . . ?
C3 C2 C7 117.80(14) . . ?
C1 C2 C7 123.94(13) . . ?
C4 C3 C2 121.43(15) . . ?
C4 C3 H3 119.3 . . ?
C2 C3 H3 119.3 . . ?
C5 C4 C3 119.65(15) . . ?
C5 C4 H4 120.2 . . ?
C3 C4 H4 120.2 . . ?
C4 C5 C6 121.65(16) . . ?
C4 C5 H5 119.2 . . ?
C6 C5 H5 119.2 . . ?
C5 C6 C1 118.13(14) . . ?
C5 C6 C10 118.28(14) . . ?
C1 C6 C10 123.59(13) . . ?
C2 C7 C9 112.20(15) . . ?
C2 C7 C8 111.66(13) . . ?
C9 C7 C8 108.96(13) . . ?
C2 C7 H7 108.0 . . ?
C9 C7 H7 108.0 . . ?
C8 C7 H7 108.0 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C6 C10 C11 111.77(13) . . ?
C6 C10 C12 112.16(14) . . ?
C11 C10 C12 109.41(14) . . ?
C6 C10 H10 107.8 . . ?
C11 C10 H10 107.8 . . ?
C12 C10 H10 107.8 . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
Si7 C13 H13A 109.5 . . ?
Si7 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
Si7 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
Si7 C14 H14A 109.5 . . ?
Si7 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si7 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si7 C15 H15A 109.5 . . ?
Si7 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si7 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C21 C16 C17 121.00(14) . . ?
C21 C16 N2 119.59(13) . . ?
C17 C16 N2 119.40(13) . . ?
C18 C17 C16 118.10(16) . . ?
C18 C17 C25 119.00(15) . . ?
C16 C17 C25 122.89(14) . . ?
C19 C18 C17 121.43(17) . . ?
C19 C18 H18 119.3 . . ?
C17 C18 H18 119.3 . . ?
C20 C19 C18 120.06(16) . . ?
C20 C19 H19 120.0 . . ?
C18 C19 H19 120.0 . . ?
C19 C20 C21 121.60(17) . . ?
C19 C20 H20 119.2 . . ?
C21 C20 H20 119.2 . . ?
C20 C21 C16 117.81(16) . . ?
C20 C21 C22 118.80(15) . . ?
C16 C21 C22 123.40(14) . . ?
C21 C22 C23 112.32(17) . . ?
C21 C22 C24 111.87(16) . . ?
C23 C22 C24 109.13(15) . . ?
C21 C22 H22 107.8 . . ?
C23 C22 H22 107.8 . . ?
C24 C22 H22 107.8 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C17 C25 C26 112.63(15) . . ?
C17 C25 C27 111.48(15) . . ?
C26 C25 C27 109.33(15) . . ?
C17 C25 H25 107.7 . . ?
C26 C25 H25 107.7 . . ?
C27 C25 H25 107.7 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
Si8 C28 H28A 109.5 . . ?
Si8 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
Si8 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
Si8 C29 H29A 109.5 . . ?
Si8 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
Si8 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
Si8 C30 H30A 109.5 . . ?
Si8 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
Si8 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C32 C31 C36 120.40(14) . . ?
C32 C31 N3 119.42(13) . . ?
C36 C31 N3 120.18(13) . . ?
C33 C32 C31 118.75(14) . . ?
C33 C32 C37 118.88(14) . . ?
C31 C32 C37 122.33(13) . . ?
C34 C33 C32 121.17(15) . . ?
C34 C33 H33 119.4 . . ?
C32 C33 H33 119.4 . . ?
C35 C34 C33 119.55(15) . . ?
C35 C34 H34 120.2 . . ?
C33 C34 H34 120.2 . . ?
C34 C35 C36 121.52(15) . . ?
C34 C35 H35 119.2 . . ?
C36 C35 H35 119.2 . . ?
C35 C36 C31 118.44(14) . . ?
C35 C36 C40 118.85(14) . . ?
C31 C36 C40 122.71(13) . . ?
C32 C37 C39 110.62(13) . . ?
C32 C37 C38 113.02(13) . . ?
C39 C37 C38 109.52(13) . . ?
C32 C37 H37 107.8 . . ?
C39 C37 H37 107.8 . . ?
C38 C37 H37 107.8 . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C36 C40 C42 111.43(13) . . ?
C36 C40 C41 111.86(14) . . ?
C42 C40 C41 109.98(14) . . ?
C36 C40 H40 107.8 . . ?
C42 C40 H40 107.8 . . ?
C41 C40 H40 107.8 . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C40 C42 H42A 109.5 . . ?
C40 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C40 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
Si9 C43 H43A 109.5 . . ?
Si9 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
Si9 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
Si9 C44 H44A 109.5 . . ?
Si9 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
Si9 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
Si9 C45 H45A 109.5 . . ?
Si9 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
Si9 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C47 C46 C51 120.54(13) . . ?
C47 C46 N4 119.78(12) . . ?
C51 C46 N4 119.65(13) . . ?
C48 C47 C46 118.98(14) . . ?
C48 C47 C52 118.27(14) . . ?
C46 C47 C52 122.73(13) . . ?
C49 C48 C47 120.98(16) . . ?
C49 C48 H48 119.5 . . ?
C47 C48 H48 119.5 . . ?
C48 C49 C50 119.58(15) . . ?
C48 C49 H49 120.2 . . ?
C50 C49 H49 120.2 . . ?
C49 C50 C51 121.91(15) . . ?
C49 C50 H50 119.0 . . ?
C51 C50 H50 119.0 . . ?
C50 C51 C46 117.93(14) . . ?
C50 C51 C55 118.83(14) . . ?
C46 C51 C55 123.23(13) . . ?
C47 C52 C53 110.48(14) . . ?
C47 C52 C54 113.20(14) . . ?
C53 C52 C54 110.04(14) . . ?
C47 C52 H52 107.6 . . ?
C53 C52 H52 107.6 . . ?
C54 C52 H52 107.6 . . ?
C52 C53 H53A 109.5 . . ?
C52 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C52 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C52 C54 H54A 109.5 . . ?
C52 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C52 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C51 C55 C57 110.91(14) . . ?
C51 C55 C56 112.45(13) . . ?
C57 C55 C56 109.15(13) . . ?
C51 C55 H55 108.1 . . ?
C57 C55 H55 108.1 . . ?
C56 C55 H55 108.1 . . ?
C55 C56 H56A 109.5 . . ?
C55 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C55 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C55 C57 H57A 109.5 . . ?
C55 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
C55 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
Si10 C58 H58A 109.5 . . ?
Si10 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
Si10 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
Si10 C59 H59A 109.5 . . ?
Si10 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
Si10 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
Si10 C60 H60A 109.5 . . ?
Si10 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
Si10 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C62A C61A H61A 109.5 . . ?
C62A C61A H61B 109.5 . . ?
H61A C61A H61B 109.5 . . ?
C62A C61A H61C 109.5 . . ?
H61A C61A H61C 109.5 . . ?
H61B C61A H61C 109.5 . . ?
C63A C62A C61A 112.5(5) . . ?
C63A C62A H62A 109.1 . . ?
C61A C62A H62A 109.1 . . ?
C63A C62A H62B 109.1 . . ?
C61A C62A H62B 109.1 . . ?
H62A C62A H62B 107.8 . . ?
C62A C63A C64A 114.7(5) . . ?
C62A C63A H63A 108.6 . . ?
C64A C63A H63A 108.6 . . ?
C62A C63A H63B 108.6 . . ?
C64A C63A H63B 108.6 . . ?
H63A C63A H63B 107.6 . . ?
C65A C64A C63A 115.5(5) . . ?
C65A C64A H64A 108.4 . . ?
C63A C64A H64A 108.4 . . ?
C65A C64A H64B 108.4 . . ?
C63A C64A H64B 108.4 . . ?
H64A C64A H64B 107.5 . . ?
C66A C65A C64A 112.6(6) . . ?
C66A C65A H65A 109.1 . . ?
C64A C65A H65A 109.1 . . ?
C66A C65A H65B 109.1 . . ?
C64A C65A H65B 109.1 . . ?
H65A C65A H65B 107.8 . . ?
C65A C66A H66A 109.5 . . ?
C65A C66A H66B 109.5 . . ?
H66A C66A H66B 109.5 . . ?
C65A C66A H66C 109.5 . . ?
H66A C66A H66C 109.5 . . ?
H66B C66A H66C 109.5 . . ?
C62B C61B H61D 109.5 . . ?
C62B C61B H61E 109.5 . . ?
H61D C61B H61E 109.5 . . ?
C62B C61B H61F 109.5 . . ?
H61D C61B H61F 109.5 . . ?
H61E C61B H61F 109.5 . . ?
C61B C62B C63B 114.9(7) . . ?
C61B C62B H62C 108.5 . . ?
C63B C62B H62C 108.5 . . ?
C61B C62B H62D 108.5 . . ?
C63B C62B H62D 108.5 . . ?
H62C C62B H62D 107.5 . . ?
C62B C63B C64B 116.1(5) . . ?
C62B C63B H63C 108.3 . . ?
C64B C63B H63C 108.3 . . ?
C62B C63B H63D 108.3 . . ?
C64B C63B H63D 108.3 . . ?
H63C C63B H63D 107.4 . . ?
C65B C64B C63B 113.3(5) . . ?
C65B C64B H64C 108.9 . . ?
C63B C64B H64C 108.9 . . ?
C65B C64B H64D 108.9 . . ?
C63B C64B H64D 108.9 . . ?
H64C C64B H64D 107.7 . . ?
C64B C65B C66B 114.0(6) . . ?
C64B C65B H65C 108.7 . . ?
C66B C65B H65C 108.7 . . ?
C64B C65B H65D 108.7 . . ?
C66B C65B H65D 108.7 . . ?
H65C C65B H65D 107.6 . . ?
C65B C66B H66D 109.5 . . ?
C65B C66B H66E 109.5 . . ?
H66D C66B H66E 109.5 . . ?
C65B C66B H66F 109.5 . . ?
H66D C66B H66F 109.5 . . ?
H66E C66B H66F 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Si2 Si1 N1 C1 -8.59(11) . . . . ?
Si5 Si1 N1 C1 145.41(8) . . . . ?
Si4 Si1 N1 C1 69.11(10) . . . . ?
Si2 Si1 N1 Si7 164.32(6) . . . . ?
Si5 Si1 N1 Si7 -41.68(14) . . . . ?
Si4 Si1 N1 Si7 -117.99(8) . . . . ?
C13 Si7 N1 C1 0.23(12) . . . . ?
C14 Si7 N1 C1 -120.23(11) . . . . ?
C15 Si7 N1 C1 119.51(11) . . . . ?
C13 Si7 N1 Si1 -172.42(9) . . . . ?
C14 Si7 N1 Si1 67.12(11) . . . . ?
C15 Si7 N1 Si1 -53.14(11) . . . . ?
Si4 Si3 N2 C16 -7.05(12) . . . . ?
Si6 Si3 N2 C16 144.53(8) . . . . ?
Si2 Si3 N2 C16 70.29(10) . . . . ?
Si4 Si3 N2 Si8 166.85(6) . . . . ?
Si6 Si3 N2 Si8 -41.57(13) . . . . ?
Si2 Si3 N2 Si8 -115.81(8) . . . . ?
C29 Si8 N2 C16 121.74(12) . . . . ?
C28 Si8 N2 C16 -118.46(12) . . . . ?
C30 Si8 N2 C16 1.97(13) . . . . ?
C29 Si8 N2 Si3 -51.83(11) . . . . ?
C28 Si8 N2 Si3 67.97(11) . . . . ?
C30 Si8 N2 Si3 -171.60(9) . . . . ?
Si1 Si5 N3 C31 -111.38(10) . . . . ?
Si6 Si5 N3 C31 100.80(10) . . . . ?
Si4 Si5 N3 C31 -27.14(11) . . . . ?
Si1 Si5 N3 Si9 72.23(10) . . . . ?
Si6 Si5 N3 Si9 -75.59(10) . . . . ?
Si4 Si5 N3 Si9 156.47(6) . . . . ?
C43 Si9 N3 C31 0.24(13) . . . . ?
C45 Si9 N3 C31 122.30(11) . . . . ?
C44 Si9 N3 C31 -119.72(11) . . . . ?
C43 Si9 N3 Si5 176.54(8) . . . . ?
C45 Si9 N3 Si5 -61.40(11) . . . . ?
C44 Si9 N3 Si5 56.58(11) . . . . ?
Si3 Si6 N4 C46 -114.27(10) . . . . ?
Si5 Si6 N4 C46 96.73(10) . . . . ?
Si2 Si6 N4 C46 -31.14(11) . . . . ?
Si3 Si6 N4 Si10 67.11(10) . . . . ?
Si5 Si6 N4 Si10 -81.88(10) . . . . ?
Si2 Si6 N4 Si10 150.25(6) . . . . ?
C60 Si10 N4 C46 -124.12(11) . . . . ?
C59 Si10 N4 C46 116.59(12) . . . . ?
C58 Si10 N4 C46 -3.50(12) . . . . ?
C60 Si10 N4 Si6 54.48(11) . . . . ?
C59 Si10 N4 Si6 -64.82(11) . . . . ?
C58 Si10 N4 Si6 175.10(8) . . . . ?
Si1 N1 C1 C6 -92.44(13) . . . . ?
Si7 N1 C1 C6 93.86(14) . . . . ?
Si1 N1 C1 C2 87.61(14) . . . . ?
Si7 N1 C1 C2 -86.09(14) . . . . ?
C6 C1 C2 C3 -0.9(2) . . . . ?
N1 C1 C2 C3 179.03(13) . . . . ?
C6 C1 C2 C7 179.41(14) . . . . ?
N1 C1 C2 C7 -0.6(2) . . . . ?
C1 C2 C3 C4 -0.5(2) . . . . ?
C7 C2 C3 C4 179.17(15) . . . . ?
C2 C3 C4 C5 1.0(3) . . . . ?
C3 C4 C5 C6 -0.1(3) . . . . ?
C4 C5 C6 C1 -1.3(2) . . . . ?
C4 C5 C6 C10 178.56(15) . . . . ?
C2 C1 C6 C5 1.8(2) . . . . ?
N1 C1 C6 C5 -178.13(13) . . . . ?
C2 C1 C6 C10 -178.06(13) . . . . ?
N1 C1 C6 C10 2.0(2) . . . . ?
C3 C2 C7 C9 64.23(19) . . . . ?
C1 C2 C7 C9 -116.10(16) . . . . ?
C3 C2 C7 C8 -58.43(19) . . . . ?
C1 C2 C7 C8 121.24(15) . . . . ?
C5 C6 C10 C11 75.10(19) . . . . ?
C1 C6 C10 C11 -105.01(17) . . . . ?
C5 C6 C10 C12 -48.19(19) . . . . ?
C1 C6 C10 C12 131.69(15) . . . . ?
Si3 N2 C16 C21 86.50(14) . . . . ?
Si8 N2 C16 C21 -87.97(15) . . . . ?
Si3 N2 C16 C17 -92.35(14) . . . . ?
Si8 N2 C16 C17 93.18(14) . . . . ?
C21 C16 C17 C18 0.4(2) . . . . ?
N2 C16 C17 C18 179.26(14) . . . . ?
C21 C16 C17 C25 179.16(14) . . . . ?
N2 C16 C17 C25 -2.0(2) . . . . ?
C16 C17 C18 C19 -1.0(2) . . . . ?
C25 C17 C18 C19 -179.76(16) . . . . ?
C17 C18 C19 C20 1.1(3) . . . . ?
C18 C19 C20 C21 -0.6(3) . . . . ?
C19 C20 C21 C16 0.0(3) . . . . ?
C19 C20 C21 C22 180.00(17) . . . . ?
C17 C16 C21 C20 0.0(2) . . . . ?
N2 C16 C21 C20 -178.80(14) . . . . ?
C17 C16 C21 C22 -179.93(15) . . . . ?
N2 C16 C21 C22 1.2(2) . . . . ?
C20 C21 C22 C23 60.0(2) . . . . ?
C16 C21 C22 C23 -120.08(18) . . . . ?
C20 C21 C22 C24 -63.2(2) . . . . ?
C16 C21 C22 C24 116.80(18) . . . . ?
C18 C17 C25 C26 -44.8(2) . . . . ?
C16 C17 C25 C26 136.52(16) . . . . ?
C18 C17 C25 C27 78.56(19) . . . . ?
C16 C17 C25 C27 -100.16(17) . . . . ?
Si5 N3 C31 C32 -89.45(14) . . . . ?
Si9 N3 C31 C32 87.23(14) . . . . ?
Si5 N3 C31 C36 91.68(14) . . . . ?
Si9 N3 C31 C36 -91.64(14) . . . . ?
C36 C31 C32 C33 4.3(2) . . . . ?
N3 C31 C32 C33 -174.52(13) . . . . ?
C36 C31 C32 C37 -173.40(13) . . . . ?
N3 C31 C32 C37 7.7(2) . . . . ?
C31 C32 C33 C34 -1.2(2) . . . . ?
C37 C32 C33 C34 176.64(14) . . . . ?
C32 C33 C34 C35 -2.3(2) . . . . ?
C33 C34 C35 C36 2.7(3) . . . . ?
C34 C35 C36 C31 0.4(2) . . . . ?
C34 C35 C36 C40 -179.80(15) . . . . ?
C32 C31 C36 C35 -4.0(2) . . . . ?
N3 C31 C36 C35 174.88(13) . . . . ?
C32 C31 C36 C40 176.27(14) . . . . ?
N3 C31 C36 C40 -4.9(2) . . . . ?
C33 C32 C37 C39 -60.27(18) . . . . ?
C31 C32 C37 C39 117.47(16) . . . . ?
C33 C32 C37 C38 62.94(19) . . . . ?
C31 C32 C37 C38 -119.32(16) . . . . ?
C35 C36 C40 C42 -72.90(19) . . . . ?
C31 C36 C40 C42 106.86(17) . . . . ?
C35 C36 C40 C41 50.67(19) . . . . ?
C31 C36 C40 C41 -129.57(15) . . . . ?
Si6 N4 C46 C47 -92.64(14) . . . . ?
Si10 N4 C46 C47 86.09(14) . . . . ?
Si6 N4 C46 C51 89.35(14) . . . . ?
Si10 N4 C46 C51 -91.92(14) . . . . ?
C51 C46 C47 C48 2.9(2) . . . . ?
N4 C46 C47 C48 -175.11(13) . . . . ?
C51 C46 C47 C52 -175.16(14) . . . . ?
N4 C46 C47 C52 6.9(2) . . . . ?
C46 C47 C48 C49 -0.8(2) . . . . ?
C52 C47 C48 C49 177.33(16) . . . . ?
C47 C48 C49 C50 -1.0(3) . . . . ?
C48 C49 C50 C51 0.7(3) . . . . ?
C49 C50 C51 C46 1.4(2) . . . . ?
C49 C50 C51 C55 -179.72(16) . . . . ?
C47 C46 C51 C50 -3.1(2) . . . . ?
N4 C46 C51 C50 174.85(13) . . . . ?
C47 C46 C51 C55 177.99(14) . . . . ?
N4 C46 C51 C55 -4.0(2) . . . . ?
C48 C47 C52 C53 -65.12(19) . . . . ?
C46 C47 C52 C53 112.93(16) . . . . ?
C48 C47 C52 C54 58.8(2) . . . . ?
C46 C47 C52 C54 -123.14(16) . . . . ?
C50 C51 C55 C57 -70.18(18) . . . . ?
C46 C51 C55 C57 108.67(16) . . . . ?
C50 C51 C55 C56 52.35(19) . . . . ?
C46 C51 C55 C56 -128.80(15) . . . . ?
C61A C62A C63A C64A 175.5(6) . . . . ?
C62A C63A C64A C65A -69.5(7) . . . . ?
C63A C64A C65A C66A -178.7(5) . . . . ?
C61B C62B C63B C64B -66.8(7) . . . . ?
C62B C63B C64B C65B -176.5(5) . . . . ?
C63B C64B C65B C66B -176.6(5) . . . . ?

_refine_diff_density_max         0.349
_refine_diff_density_min         -0.253
_refine_diff_density_rms         0.050

