# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_compound2
_database_code_depnum_ccdc_archive 'CCDC 1514595'
_audit_update_record             
;
2016-11-02 deposited with the CCDC.
2017-07-24 downloaded from the CCDC.
;
_audit_creation_date             2016-11-02
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.09.09 svn.r3337 for OlexSys, GUI svn.r5227)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C72 H112 N8 O20 Si8'
_chemical_formula_sum            'C72 H112 N8 O20 Si8'
_chemical_formula_weight         1634.41
_chemical_melting_point          ?
_chemical_oxdiff_formula         'C72 H112 N8 O20 Si8'
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'

_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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.6202(3)
_cell_length_b                   14.1254(3)
_cell_length_c                   17.6565(6)
_cell_angle_alpha                71.392(2)
_cell_angle_beta                 74.675(3)
_cell_angle_gamma                70.560(2)
_cell_volume                     2110.47(12)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    11931
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.4030
_cell_measurement_theta_min      2.2370
_shelx_estimated_absorpt_T_max   0.997
_shelx_estimated_absorpt_T_min   0.890
_exptl_absorpt_coefficient_mu    0.198
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.74869
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.286
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       'long lath'
_exptl_crystal_F_000             872
_exptl_crystal_size_max          0.6
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.015
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0375
_diffrn_reflns_av_unetI/netI     0.0368
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            28211
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.027
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_min         3.044
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_detector                 'CCD area detector'
_diffrn_detector_type            'Rigaku HG Saturn724+ (2x2 bin mode)'
_diffrn_detector_area_resol_mean 28.5714

_diffrn_measurement_device       'four-circle κ diffractometer'
_diffrn_measurement_device_type  'Rigaku AFC12 (Right)'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_measurement_specimen_support 'MiTeGen MicroMesh'

_diffrn_radiation_collimation    0.3
_diffrn_radiation_monochromator  'Confocal mirrors, HF Varimax'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_xray_symbol    K-L~3~
_diffrn_radiation_wavelength     0.71075

_diffrn_source                   'Rotating Anode'
_diffrn_source_power             2.475
_diffrn_source_voltage           45.0
_diffrn_source_current           55.0
_diffrn_source_target            Mo
_diffrn_source_type              'Rotating Anode'

_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                6345
_reflns_number_total             7434
_reflns_odcompleteness_completeness 88.61
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     29.60
_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       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_refine_diff_density_max         0.581
_refine_diff_density_min         -0.368
_refine_diff_density_rms         0.063
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     522
_refine_ls_number_reflns         7434
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0544
_refine_ls_R_factor_gt           0.0459
_refine_ls_restrained_S_all      1.022
_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)+(0.0717P)²+1.5898P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1215
_refine_ls_wR_factor_ref         0.1280
_refine_special_details          ', small positional disorder'
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
2. Others
 Sof(H25C)=Sof(H25D)=Sof(C23B)=Sof(H23C)=Sof(H23D)=Sof(C24B)=Sof(H24C)=
 Sof(H24D)=1-FVAR(1)
 Sof(H25A)=Sof(H25B)=Sof(C23A)=Sof(H23A)=Sof(H23B)=Sof(C24A)=Sof(H24A)=
 Sof(H24B)=FVAR(1)
3.a Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C2(H2A,H2B), C3(H3A,H3B), C5(H5A,H5B), C6(H6A,H6B), C7(H7A,H7B),
 C10(H10A,H10B), C11(H11A,H11B), C12(H12A,H12B), C14(H14A,H14B), C15(H15A,H15B),
  C16(H16A,H16B), C19(H19A,H19B), C20(H20A,H20B), C21(H21A,H21B), C25(H25A,
 H25B), C25(H25C,H25D), C28(H28A,H28B), C29(H29A,H29B), C30(H30A,H30B),
 C32(H32A,H32B), C33(H33A,H33B), C34(H34A,H34B), C23A(H23A,H23B), C24A(H24A,
 H24B), C23B(H23C,H23D), C24B(H24C,H24D)
3.b :
 C9(H9), C18(H18), C27(H27), C36(H36)
;
_atom_sites_solution_hydrogens   mixed
_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
Si1 Si 0.76001(6) 0.34813(4) 0.00579(4) 0.01995(15) Uani 1 1 d . . . . .
Si2 Si 0.57312(6) 0.45000(4) 0.14752(4) 0.02086(15) Uani 1 1 d . . . . .
Si3 Si 0.28063(6) 0.43342(4) 0.11514(4) 0.02045(15) Uani 1 1 d . . . . .
Si4 Si 0.53177(6) 0.66868(4) 0.02653(4) 0.02049(15) Uani 1 1 d . . . . .
O1 O 0.70376(17) 0.38886(11) 0.08725(9) 0.0249(3) Uani 1 1 d . . . . .
O2 O 0.41890(16) 0.41961(11) 0.15750(9) 0.0246(3) Uani 1 1 d . . . . .
O3 O 0.21723(16) 0.55498(11) 0.07113(9) 0.0221(3) Uani 1 1 d . . . . .
O4 O 0.54465(17) 0.57387(11) 0.10780(10) 0.0258(3) Uani 1 1 d . . . . .
O5 O 0.34151(17) 0.36661(11) 0.04778(10) 0.0260(4) Uani 1 1 d . . . . .
O6 O 0.36748(16) 0.69632(11) 0.00399(10) 0.0244(3) Uani 1 1 d . . . . .
O7 O 1.25812(19) -0.08143(14) 0.18194(12) 0.0429(5) Uani 1 1 d . . . . .
O8 O 0.5519(2) 0.04562(14) 0.32173(15) 0.0544(6) Uani 1 1 d . . . . .
O9 O 0.03429(18) 0.07741(14) 0.33552(13) 0.0427(5) Uani 1 1 d . . . . .
O10 O 0.23503(19) 1.08090(14) -0.15218(14) 0.0528(6) Uani 1 1 d . . . . .
N1 N 1.0353(3) -0.03548(16) 0.14392(15) 0.0367(5) Uani 1 1 d . . . . .
N2 N 0.7307(2) 0.11894(14) 0.31393(12) 0.0261(4) Uani 1 1 d . . . . .
N3 N 0.2641(2) 0.10218(14) 0.29050(14) 0.0308(5) Uani 1 1 d . . . . .
N4 N 0.4757(2) 1.01321(14) -0.13709(12) 0.0244(4) Uani 1 1 d . . . . .
C1 C 0.9354(2) 0.24326(16) 0.01339(15) 0.0280(5) Uani 1 1 d . . . . .
H1A H 0.9766 0.2265 -0.0399 0.034 Uiso 1 1 calc R . . . .
H1B H 1.0094 0.2679 0.0263 0.034 Uiso 1 1 calc R . . . .
C2 C 0.9141(3) 0.14345(17) 0.07904(16) 0.0320(6) Uani 1 1 d . . . . .
H2A H 0.8724 0.1601 0.1323 0.038 Uiso 1 1 calc R . . . .
H2B H 0.8409 0.1182 0.0660 0.038 Uiso 1 1 calc R . . . .
C3 C 1.0569(3) 0.05986(19) 0.0848(2) 0.0456(7) Uani 1 1 d . . . . .
H3A H 1.1010 0.0455 0.0309 0.055 Uiso 1 1 calc R . . . .
H3B H 1.1284 0.0838 0.1005 0.055 Uiso 1 1 calc R . . . .
C4 C 1.1381(2) -0.09855(18) 0.18713(16) 0.0306(5) Uani 1 1 d . . . . .
C5 C 1.1043(3) -0.19763(18) 0.24434(16) 0.0318(5) Uani 1 1 d . . . . .
H5A H 1.1137 -0.2023 0.3000 0.038 Uiso 1 1 calc R . . . .
H5B H 0.9999 -0.1955 0.2454 0.038 Uiso 1 1 calc R . . . .
C6 C 1.2103(3) -0.29285(19) 0.21791(16) 0.0354(6) Uani 1 1 d . . . . .
H6A H 1.1913 -0.2922 0.1653 0.042 Uiso 1 1 calc R . . . .
H6B H 1.3146 -0.2894 0.2095 0.042 Uiso 1 1 calc R . . . .
C7 C 1.1942(3) -0.39384(19) 0.27894(16) 0.0347(6) Uani 1 1 d . . . . .
H7A H 1.0870 -0.3924 0.2934 0.042 Uiso 1 1 calc R . . . .
H7B H 1.2484 -0.4518 0.2530 0.042 Uiso 1 1 calc R . . . .
C8 C 1.2504(3) -0.41435(17) 0.35299(16) 0.0321(6) Uani 1 1 d . . . . .
C9 C 1.2995(3) -0.4308(2) 0.41225(19) 0.0440(7) Uani 1 1 d . . . . .
H9 H 1.3390 -0.4440 0.4597 0.053 Uiso 1 1 calc R . . . .
C10 C 0.6354(2) 0.41404(16) 0.24509(14) 0.0244(5) Uani 1 1 d . . . . .
H10A H 0.6949 0.4607 0.2423 0.029 Uiso 1 1 calc R . . . .
H10B H 0.5461 0.4256 0.2880 0.029 Uiso 1 1 calc R . . . .
C11 C 0.7299(2) 0.30125(16) 0.26984(14) 0.0237(5) Uani 1 1 d . . . . .
H11A H 0.8205 0.2894 0.2277 0.028 Uiso 1 1 calc R . . . .
H11B H 0.7630 0.2897 0.3214 0.028 Uiso 1 1 calc R . . . .
C12 C 0.6441(2) 0.22360(16) 0.28071(15) 0.0256(5) Uani 1 1 d . . . . .
H12A H 0.5474 0.2403 0.3178 0.031 Uiso 1 1 calc R . . . .
H12B H 0.6226 0.2282 0.2276 0.031 Uiso 1 1 calc R . . . .
C13 C 0.6757(3) 0.03760(18) 0.33416(16) 0.0311(5) Uani 1 1 d . . . . .
C14 C 0.7667(3) -0.06363(17) 0.38006(16) 0.0313(5) Uani 1 1 d . . . . .
H14A H 0.8650 -0.0568 0.3815 0.038 Uiso 1 1 calc R . . . .
H14B H 0.7843 -0.1190 0.3528 0.038 Uiso 1 1 calc R . . . .
C15 C 0.6803(3) -0.09161(18) 0.46646(16) 0.0343(6) Uani 1 1 d . . . . .
H15A H 0.6421 -0.0291 0.4878 0.041 Uiso 1 1 calc R . . . .
H15B H 0.5927 -0.1123 0.4646 0.041 Uiso 1 1 calc R . . . .
C16 C 0.7730(3) -0.17904(19) 0.52485(17) 0.0375(6) Uani 1 1 d . . . . .
H16A H 0.8542 -0.1556 0.5316 0.045 Uiso 1 1 calc R . . . .
H16B H 0.7084 -0.1942 0.5786 0.045 Uiso 1 1 calc R . . . .
C17 C 0.8395(3) -0.27466(19) 0.49721(16) 0.0339(6) Uani 1 1 d . . . . .
C18 C 0.8921(3) -0.3503(2) 0.47382(18) 0.0425(7) Uani 1 1 d . . . . .
H18 H 0.9347 -0.4115 0.4549 0.051 Uiso 1 1 calc R . . . .
C19 C 0.1250(2) 0.39312(17) 0.19237(14) 0.0270(5) Uani 1 1 d . . . . .
H19A H 0.0688 0.4508 0.2183 0.032 Uiso 1 1 calc R . . . .
H19B H 0.0562 0.3842 0.1638 0.032 Uiso 1 1 calc R . . . .
C20 C 0.1644(3) 0.29418(17) 0.25974(15) 0.0287(5) Uani 1 1 d . . . . .
H20A H 0.2423 0.2980 0.2849 0.034 Uiso 1 1 calc R . . . .
H20B H 0.0744 0.2893 0.3023 0.034 Uiso 1 1 calc R . . . .
C21 C 0.2209(3) 0.19746(17) 0.22825(15) 0.0302(5) Uani 1 1 d . . . . .
H21A H 0.1415 0.1928 0.2046 0.036 Uiso 1 1 calc R . . . .
H21B H 0.3084 0.2039 0.1843 0.036 Uiso 1 1 calc R . . . .
C22 C 0.1688(3) 0.04886(18) 0.33798(17) 0.0343(6) Uani 1 1 d . . . . .
C25 C 0.1947(3) -0.2125(2) 0.50191(16) 0.0360(6) Uani 1 1 d . . . . .
H25A H 0.1287 -0.2286 0.5550 0.043 Uiso 0.538(7) 1 calc R . P A 1
H25B H 0.1752 -0.2456 0.4655 0.043 Uiso 0.538(7) 1 calc R . P A 1
H25C H 0.1380 -0.1750 0.5442 0.043 Uiso 0.462(7) 1 calc R . P A 2
H25D H 0.1484 -0.2680 0.5077 0.043 Uiso 0.462(7) 1 calc R . P A 2
C26 C 0.3509(3) -0.25891(19) 0.51353(15) 0.0332(6) Uani 1 1 d . . . . .
C27 C 0.4760(3) -0.2977(2) 0.52337(17) 0.0387(6) Uani 1 1 d . . . . .
H27 H 0.5768 -0.3290 0.5313 0.046 Uiso 1 1 calc R . . . .
C28 C 0.5583(2) 0.78198(15) 0.04523(14) 0.0227(5) Uani 1 1 d . . . . .
H28A H 0.4689 0.8102 0.0830 0.027 Uiso 1 1 calc R . . . .
H28B H 0.6451 0.7577 0.0733 0.027 Uiso 1 1 calc R . . . .
C29 C 0.5838(2) 0.87072(15) -0.02899(14) 0.0230(5) Uani 1 1 d . . . . .
H29A H 0.6049 0.9238 -0.0115 0.028 Uiso 1 1 calc R . . . .
H29B H 0.6731 0.8435 -0.0672 0.028 Uiso 1 1 calc R . . . .
C30 C 0.4512(2) 0.92208(15) -0.07328(14) 0.0243(5) Uani 1 1 d . . . . .
H30A H 0.4375 0.8720 -0.0973 0.029 Uiso 1 1 calc R . . . .
H30B H 0.3590 0.9427 -0.0342 0.029 Uiso 1 1 calc R . . . .
C31 C 0.3662(3) 1.08464(17) -0.17314(16) 0.0303(5) Uani 1 1 d . . . . .
C32 C 0.4128(3) 1.17073(17) -0.24220(16) 0.0293(5) Uani 1 1 d . . . . .
H32A H 0.4483 1.1466 -0.2926 0.035 Uiso 1 1 calc R . . . .
H32B H 0.4979 1.1850 -0.2304 0.035 Uiso 1 1 calc R . . . .
C33 C 0.2885(3) 1.27100(17) -0.25657(16) 0.0319(6) Uani 1 1 d . . . . .
H33A H 0.2060 1.2588 -0.2725 0.038 Uiso 1 1 calc R . . . .
H33B H 0.2484 1.2937 -0.2056 0.038 Uiso 1 1 calc R . . . .
C34 C 0.3454(3) 1.35575(17) -0.32267(16) 0.0312(5) Uani 1 1 d . . . . .
H34A H 0.4182 1.3739 -0.3030 0.037 Uiso 1 1 calc R . . . .
H34B H 0.3995 1.3282 -0.3706 0.037 Uiso 1 1 calc R . . . .
C35 C 0.2277(3) 1.45051(18) -0.34811(15) 0.0298(5) Uani 1 1 d . . . . .
C36 C 0.1326(3) 1.52531(19) -0.36923(16) 0.0358(6) Uani 1 1 d . . . . .
H36 H 0.0556 1.5858 -0.3863 0.043 Uiso 1 1 calc R . . . .
C23A C 0.2439(8) -0.0599(5) 0.3817(4) 0.0271(14) Uani 0.538(7) 1 d . . P A 1
H23A H 0.3451 -0.0635 0.3877 0.032 Uiso 0.538(7) 1 calc R . P A 1
H23B H 0.2547 -0.1091 0.3498 0.032 Uiso 0.538(7) 1 calc R . P A 1
C24A C 0.1499(5) -0.0896(3) 0.4647(3) 0.0285(14) Uani 0.538(7) 1 d . . P A 1
H24A H 0.0427 -0.0650 0.4600 0.034 Uiso 0.538(7) 1 calc R . P A 1
H24B H 0.1646 -0.0552 0.5017 0.034 Uiso 0.538(7) 1 calc R . P A 1
C23B C 0.2252(9) -0.0411(6) 0.4135(6) 0.0336(19) Uani 0.462(7) 1 d . . P A 2
H23C H 0.3350 -0.0559 0.4077 0.040 Uiso 0.462(7) 1 calc R . P A 2
H23D H 0.1779 -0.0182 0.4641 0.040 Uiso 0.462(7) 1 calc R . P A 2
C24B C 0.1860(6) -0.1382(4) 0.4190(3) 0.0307(17) Uani 0.462(7) 1 d . . P A 2
H24C H 0.2560 -0.1727 0.3774 0.037 Uiso 0.462(7) 1 calc R . P A 2
H24D H 0.0834 -0.1194 0.4078 0.037 Uiso 0.462(7) 1 calc R . P A 2
H2 H 0.814(3) 0.1099(19) 0.3210(16) 0.028(7) Uiso 1 1 d . . . . .
H4 H 0.557(3) 1.0183(18) -0.1471(14) 0.017(6) Uiso 1 1 d . . . . .
H3 H 0.359(3) 0.081(2) 0.2994(18) 0.046(8) Uiso 1 1 d . . . . .
H1 H 0.958(4) -0.041(3) 0.151(2) 0.051(10) Uiso 1 1 d . . . . .


_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 O1 1.6131(16) . ?
Si1 O3 1.6191(15) 2_665 ?
Si1 O6 1.6192(15) 2_665 ?
Si1 C1 1.841(2) . ?
Si2 O1 1.6171(16) . ?
Si2 O2 1.6290(15) . ?
Si2 O4 1.6211(15) . ?
Si2 C10 1.836(2) . ?
Si3 O2 1.6207(16) . ?
Si3 O3 1.6206(15) . ?
Si3 O5 1.6214(16) . ?
Si3 C19 1.849(2) . ?
Si4 O4 1.6202(16) . ?
Si4 O5 1.6198(16) 2_665 ?
Si4 O6 1.6221(16) . ?
Si4 C28 1.841(2) . ?
O3 Si1 1.6192(15) 2_665 ?
O5 Si4 1.6198(16) 2_665 ?
O6 Si1 1.6192(15) 2_665 ?
O7 C4 1.231(3) . ?
O8 C13 1.230(3) . ?
O9 C22 1.229(3) . ?
O10 C31 1.231(3) . ?
N1 C3 1.456(3) . ?
N1 C4 1.316(3) . ?
N1 H1 0.74(3) . ?
N2 C12 1.452(3) . ?
N2 C13 1.331(3) . ?
N2 H2 0.80(3) . ?
N3 C21 1.455(3) . ?
N3 C22 1.327(3) . ?
N3 H3 0.90(3) . ?
N4 C30 1.455(3) . ?
N4 C31 1.331(3) . ?
N4 H4 0.77(2) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C1 C2 1.548(3) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C2 C3 1.486(3) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C5 1.521(3) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C5 C6 1.518(3) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C6 C7 1.516(3) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C7 C8 1.453(4) . ?
C8 C9 1.186(4) . ?
C9 H9 0.9500 . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C10 C11 1.535(3) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C11 C12 1.519(3) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.507(3) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C14 C15 1.529(4) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C15 C16 1.525(4) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C16 C17 1.467(4) . ?
C17 C18 1.174(4) . ?
C18 H18 0.9500 . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C19 C20 1.529(3) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C20 C21 1.517(3) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23A 1.509(7) . ?
C22 C23B 1.590(9) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C25 H25C 0.9900 . ?
C25 H25D 0.9900 . ?
C25 C26 1.467(4) . ?
C25 C24A 1.598(5) . ?
C25 C24B 1.508(6) . ?
C26 C27 1.178(4) . ?
C27 H27 0.9500 . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C28 C29 1.528(3) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C29 C30 1.521(3) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 C32 1.515(3) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C32 C33 1.518(3) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C33 C34 1.517(3) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C34 C35 1.467(3) . ?
C35 C36 1.174(3) . ?
C36 H36 0.9500 . ?
C23A H23A 0.9900 . ?
C23A H23B 0.9900 . ?
C23A C24A 1.517(8) . ?
C24A H24A 0.9900 . ?
C24A H24B 0.9900 . ?
C23B H23C 0.9900 . ?
C23B H23D 0.9900 . ?
C23B C24B 1.508(10) . ?
C24B H24C 0.9900 . ?
C24B H24D 0.9900 . ?

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
O1 Si1 O3 108.59(8) . 2_665 ?
O1 Si1 O6 108.51(8) . 2_665 ?
O1 Si1 C1 110.00(10) . . ?
O3 Si1 O6 109.40(8) 2_665 2_665 ?
O3 Si1 C1 111.17(9) 2_665 . ?
O6 Si1 C1 109.13(9) 2_665 . ?
O1 Si2 O2 109.10(8) . . ?
O1 Si2 O4 109.04(8) . . ?
O1 Si2 C10 108.15(9) . . ?
O2 Si2 C10 111.89(9) . . ?
O4 Si2 O2 108.47(8) . . ?
O4 Si2 C10 110.17(9) . . ?
O2 Si3 O5 108.55(8) . . ?
O2 Si3 C19 110.58(10) . . ?
O3 Si3 O2 109.19(8) . . ?
O3 Si3 O5 109.41(8) . . ?
O3 Si3 C19 107.24(9) . . ?
O5 Si3 C19 111.83(9) . . ?
O4 Si4 O6 108.48(8) . . ?
O4 Si4 C28 109.32(9) . . ?
O5 Si4 O4 109.51(8) 2_665 . ?
O5 Si4 O6 109.08(8) 2_665 . ?
O5 Si4 C28 109.96(9) 2_665 . ?
O6 Si4 C28 110.48(9) . . ?
Si1 O1 Si2 150.63(11) . . ?
Si3 O2 Si2 146.29(11) . . ?
Si1 O3 Si3 147.37(10) 2_665 . ?
Si4 O4 Si2 147.51(11) . . ?
Si4 O5 Si3 149.50(10) 2_665 . ?
Si1 O6 Si4 146.58(10) 2_665 . ?
C3 N1 H1 114(3) . . ?
C4 N1 C3 122.0(2) . . ?
C4 N1 H1 124(3) . . ?
C12 N2 H2 119.2(18) . . ?
C13 N2 C12 121.9(2) . . ?
C13 N2 H2 118.9(18) . . ?
C21 N3 H3 117.8(19) . . ?
C22 N3 C21 123.4(2) . . ?
C22 N3 H3 118.7(19) . . ?
C30 N4 H4 114.8(18) . . ?
C31 N4 C30 122.69(19) . . ?
C31 N4 H4 122.5(18) . . ?
Si1 C1 H1A 109.0 . . ?
Si1 C1 H1B 109.0 . . ?
H1A C1 H1B 107.8 . . ?
C2 C1 Si1 112.87(16) . . ?
C2 C1 H1A 109.0 . . ?
C2 C1 H1B 109.0 . . ?
C1 C2 H2A 109.2 . . ?
C1 C2 H2B 109.2 . . ?
H2A C2 H2B 107.9 . . ?
C3 C2 C1 112.20(19) . . ?
C3 C2 H2A 109.2 . . ?
C3 C2 H2B 109.2 . . ?
N1 C3 C2 112.1(2) . . ?
N1 C3 H3A 109.2 . . ?
N1 C3 H3B 109.2 . . ?
C2 C3 H3A 109.2 . . ?
C2 C3 H3B 109.2 . . ?
H3A C3 H3B 107.9 . . ?
O7 C4 N1 123.2(2) . . ?
O7 C4 C5 120.0(2) . . ?
N1 C4 C5 116.8(2) . . ?
C4 C5 H5A 109.4 . . ?
C4 C5 H5B 109.4 . . ?
H5A C5 H5B 108.0 . . ?
C6 C5 C4 111.3(2) . . ?
C6 C5 H5A 109.4 . . ?
C6 C5 H5B 109.4 . . ?
C5 C6 H6A 109.0 . . ?
C5 C6 H6B 109.0 . . ?
H6A C6 H6B 107.8 . . ?
C7 C6 C5 113.1(2) . . ?
C7 C6 H6A 109.0 . . ?
C7 C6 H6B 109.0 . . ?
C6 C7 H7A 108.7 . . ?
C6 C7 H7B 108.7 . . ?
H7A C7 H7B 107.6 . . ?
C8 C7 C6 114.2(2) . . ?
C8 C7 H7A 108.7 . . ?
C8 C7 H7B 108.7 . . ?
C9 C8 C7 178.3(3) . . ?
C8 C9 H9 180.0 . . ?
Si2 C10 H10A 108.6 . . ?
Si2 C10 H10B 108.6 . . ?
H10A C10 H10B 107.6 . . ?
C11 C10 Si2 114.57(15) . . ?
C11 C10 H10A 108.6 . . ?
C11 C10 H10B 108.6 . . ?
C10 C11 H11A 109.1 . . ?
C10 C11 H11B 109.1 . . ?
H11A C11 H11B 107.9 . . ?
C12 C11 C10 112.36(17) . . ?
C12 C11 H11A 109.1 . . ?
C12 C11 H11B 109.1 . . ?
N2 C12 C11 110.34(18) . . ?
N2 C12 H12A 109.6 . . ?
N2 C12 H12B 109.6 . . ?
C11 C12 H12A 109.6 . . ?
C11 C12 H12B 109.6 . . ?
H12A C12 H12B 108.1 . . ?
O8 C13 N2 122.1(2) . . ?
O8 C13 C14 121.2(2) . . ?
N2 C13 C14 116.5(2) . . ?
C13 C14 H14A 110.0 . . ?
C13 C14 H14B 110.0 . . ?
C13 C14 C15 108.51(19) . . ?
H14A C14 H14B 108.4 . . ?
C15 C14 H14A 110.0 . . ?
C15 C14 H14B 110.0 . . ?
C14 C15 H15A 108.8 . . ?
C14 C15 H15B 108.8 . . ?
H15A C15 H15B 107.7 . . ?
C16 C15 C14 113.9(2) . . ?
C16 C15 H15A 108.8 . . ?
C16 C15 H15B 108.8 . . ?
C15 C16 H16A 109.0 . . ?
C15 C16 H16B 109.0 . . ?
H16A C16 H16B 107.8 . . ?
C17 C16 C15 113.1(2) . . ?
C17 C16 H16A 109.0 . . ?
C17 C16 H16B 109.0 . . ?
C18 C17 C16 178.9(3) . . ?
C17 C18 H18 180.0 . . ?
Si3 C19 H19A 107.9 . . ?
Si3 C19 H19B 107.9 . . ?
H19A C19 H19B 107.2 . . ?
C20 C19 Si3 117.76(16) . . ?
C20 C19 H19A 107.9 . . ?
C20 C19 H19B 107.9 . . ?
C19 C20 H20A 109.2 . . ?
C19 C20 H20B 109.2 . . ?
H20A C20 H20B 107.9 . . ?
C21 C20 C19 112.1(2) . . ?
C21 C20 H20A 109.2 . . ?
C21 C20 H20B 109.2 . . ?
N3 C21 C20 113.4(2) . . ?
N3 C21 H21A 108.9 . . ?
N3 C21 H21B 108.9 . . ?
C20 C21 H21A 108.9 . . ?
C20 C21 H21B 108.9 . . ?
H21A C21 H21B 107.7 . . ?
O9 C22 N3 123.1(2) . . ?
O9 C22 C23A 121.9(3) . . ?
O9 C22 C23B 118.3(4) . . ?
N3 C22 C23A 113.7(3) . . ?
N3 C22 C23B 117.2(4) . . ?
H25A C25 H25B 107.5 . . ?
H25C C25 H25D 108.1 . . ?
C26 C25 H25A 108.5 . . ?
C26 C25 H25B 108.5 . . ?
C26 C25 H25C 109.5 . . ?
C26 C25 H25D 109.5 . . ?
C26 C25 C24A 115.0(2) . . ?
C26 C25 C24B 110.7(3) . . ?
C24A C25 H25A 108.5 . . ?
C24A C25 H25B 108.5 . . ?
C24B C25 H25C 109.5 . . ?
C24B C25 H25D 109.5 . . ?
C27 C26 C25 178.9(3) . . ?
C26 C27 H27 180.0 . . ?
Si4 C28 H28A 108.1 . . ?
Si4 C28 H28B 108.1 . . ?
H28A C28 H28B 107.3 . . ?
C29 C28 Si4 116.81(15) . . ?
C29 C28 H28A 108.1 . . ?
C29 C28 H28B 108.1 . . ?
C28 C29 H29A 108.9 . . ?
C28 C29 H29B 108.9 . . ?
H29A C29 H29B 107.7 . . ?
C30 C29 C28 113.42(17) . . ?
C30 C29 H29A 108.9 . . ?
C30 C29 H29B 108.9 . . ?
N4 C30 C29 110.49(17) . . ?
N4 C30 H30A 109.6 . . ?
N4 C30 H30B 109.6 . . ?
C29 C30 H30A 109.6 . . ?
C29 C30 H30B 109.6 . . ?
H30A C30 H30B 108.1 . . ?
O10 C31 N4 122.3(2) . . ?
O10 C31 C32 121.9(2) . . ?
N4 C31 C32 115.8(2) . . ?
C31 C32 H32A 108.8 . . ?
C31 C32 H32B 108.8 . . ?
C31 C32 C33 113.8(2) . . ?
H32A C32 H32B 107.7 . . ?
C33 C32 H32A 108.8 . . ?
C33 C32 H32B 108.8 . . ?
C32 C33 H33A 109.4 . . ?
C32 C33 H33B 109.4 . . ?
H33A C33 H33B 108.0 . . ?
C34 C33 C32 111.02(19) . . ?
C34 C33 H33A 109.4 . . ?
C34 C33 H33B 109.4 . . ?
C33 C34 H34A 108.7 . . ?
C33 C34 H34B 108.7 . . ?
H34A C34 H34B 107.6 . . ?
C35 C34 C33 114.2(2) . . ?
C35 C34 H34A 108.7 . . ?
C35 C34 H34B 108.7 . . ?
C36 C35 C34 178.7(3) . . ?
C35 C36 H36 180.0 . . ?
C22 C23A H23A 109.8 . . ?
C22 C23A H23B 109.8 . . ?
C22 C23A C24A 109.3(5) . . ?
H23A C23A H23B 108.3 . . ?
C24A C23A H23A 109.8 . . ?
C24A C23A H23B 109.8 . . ?
C25 C24A H24A 109.4 . . ?
C25 C24A H24B 109.4 . . ?
C23A C24A C25 111.1(4) . . ?
C23A C24A H24A 109.4 . . ?
C23A C24A H24B 109.4 . . ?
H24A C24A H24B 108.0 . . ?
C22 C23B H23C 109.6 . . ?
C22 C23B H23D 109.6 . . ?
H23C C23B H23D 108.1 . . ?
C24B C23B C22 110.5(6) . . ?
C24B C23B H23C 109.6 . . ?
C24B C23B H23D 109.6 . . ?
C25 C24B H24C 109.4 . . ?
C25 C24B H24D 109.4 . . ?
C23B C24B C25 111.3(5) . . ?
C23B C24B H24C 109.4 . . ?
C23B C24B H24D 109.4 . . ?
H24C C24B H24D 108.0 . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N2 H2 O9 0.80(3) 2.09(3) 2.885(3) 176(3) 1_655
N4 H4 O7 0.77(2) 2.12(3) 2.863(3) 162(2) 2_765
N3 H3 O8 0.90(3) 1.87(3) 2.768(3) 176(3) .
N1 H1 O10 0.74(3) 2.11(3) 2.836(3) 166(3) 2_665

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
Si1 C1 C2 C3 -179.6(2) . . . . ?
Si2 C10 C11 C12 -61.8(2) . . . . ?
Si3 C19 C20 C21 -70.0(2) . . . . ?
Si4 C28 C29 C30 63.4(2) . . . . ?
O1 Si1 C1 C2 67.27(18) . . . . ?
O1 Si2 O2 Si3 -73.16(19) . . . . ?
O1 Si2 O4 Si4 39.2(2) . . . . ?
O1 Si2 C10 C11 -35.02(18) . . . . ?
O2 Si2 O1 Si1 42.3(2) . . . . ?
O2 Si2 O4 Si4 -79.4(2) . . . . ?
O2 Si2 C10 C11 85.15(17) . . . . ?
O2 Si3 O3 Si1 76.9(2) . . . 2_665 ?
O2 Si3 O5 Si4 -44.6(2) . . . 2_665 ?
O2 Si3 C19 C20 -42.5(2) . . . . ?
O3 Si1 O1 Si2 76.6(2) 2_665 . . . ?
O3 Si1 C1 C2 -172.41(16) 2_665 . . . ?
O3 Si3 O2 Si2 -45.4(2) . . . . ?
O3 Si3 O5 Si4 74.5(2) . . . 2_665 ?
O3 Si3 C19 C20 -161.42(16) . . . . ?
O4 Si2 O1 Si1 -76.0(2) . . . . ?
O4 Si2 O2 Si3 45.5(2) . . . . ?
O4 Si2 C10 C11 -154.10(15) . . . . ?
O4 Si4 O6 Si1 -44.9(2) . . . 2_665 ?
O4 Si4 C28 C29 167.13(15) . . . . ?
O5 Si3 O2 Si2 73.85(19) . . . . ?
O5 Si3 O3 Si1 -41.8(2) . . . 2_665 ?
O5 Si3 C19 C20 78.63(19) . . . . ?
O5 Si4 O4 Si2 -39.8(2) 2_665 . . . ?
O5 Si4 O6 Si1 74.3(2) 2_665 . . 2_665 ?
O5 Si4 C28 C29 46.89(18) 2_665 . . . ?
O6 Si1 O1 Si2 -42.2(2) 2_665 . . . ?
O6 Si1 C1 C2 -51.66(19) 2_665 . . . ?
O6 Si4 O4 Si2 79.2(2) . . . . ?
O6 Si4 C28 C29 -73.57(17) . . . . ?
O7 C4 C5 C6 -65.1(3) . . . . ?
O8 C13 C14 C15 -62.9(3) . . . . ?
O9 C22 C23A C24A -46.6(6) . . . . ?
O9 C22 C23B C24B 59.4(7) . . . . ?
O10 C31 C32 C33 26.1(4) . . . . ?
N1 C4 C5 C6 113.7(3) . . . . ?
N2 C13 C14 C15 111.8(2) . . . . ?
N3 C22 C23A C24A 145.9(4) . . . . ?
N3 C22 C23B C24B -133.9(5) . . . . ?
N4 C31 C32 C33 -154.4(2) . . . . ?
C1 Si1 O1 Si2 -161.55(19) . . . . ?
C1 C2 C3 N1 -177.3(2) . . . . ?
C3 N1 C4 O7 1.1(4) . . . . ?
C3 N1 C4 C5 -177.7(2) . . . . ?
C4 N1 C3 C2 -147.0(3) . . . . ?
C4 C5 C6 C7 172.5(2) . . . . ?
C5 C6 C7 C8 -71.2(3) . . . . ?
C10 Si2 O1 Si1 164.24(19) . . . . ?
C10 Si2 O2 Si3 167.22(17) . . . . ?
C10 Si2 O4 Si4 157.78(19) . . . . ?
C10 C11 C12 N2 -172.77(19) . . . . ?
C12 N2 C13 O8 4.1(4) . . . . ?
C12 N2 C13 C14 -170.5(2) . . . . ?
C13 N2 C12 C11 175.4(2) . . . . ?
C13 C14 C15 C16 -167.3(2) . . . . ?
C14 C15 C16 C17 -56.5(3) . . . . ?
C19 Si3 O2 Si2 -163.12(17) . . . . ?
C19 Si3 O3 Si1 -163.29(18) . . . 2_665 ?
C19 Si3 O5 Si4 -166.8(2) . . . 2_665 ?
C19 C20 C21 N3 178.06(19) . . . . ?
C21 N3 C22 O9 -2.8(4) . . . . ?
C21 N3 C22 C23A 164.6(3) . . . . ?
C21 N3 C22 C23B -168.8(4) . . . . ?
C22 N3 C21 C20 87.3(3) . . . . ?
C22 C23A C24A C25 162.4(3) . . . . ?
C22 C23B C24B C25 -162.8(4) . . . . ?
C26 C25 C24A C23A 60.2(5) . . . . ?
C26 C25 C24B C23B -71.0(5) . . . . ?
C28 Si4 O4 Si2 -160.29(19) . . . . ?
C28 Si4 O6 Si1 -164.68(19) . . . 2_665 ?
C28 C29 C30 N4 173.22(17) . . . . ?
C30 N4 C31 O10 3.5(4) . . . . ?
C30 N4 C31 C32 -176.0(2) . . . . ?
C31 N4 C30 C29 -165.0(2) . . . . ?
C31 C32 C33 C34 176.3(2) . . . . ?
C32 C33 C34 C35 171.8(2) . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- Detector area scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.458
_oxdiff_exptl_absorpt_empirical_full_min 0.594

