#------------------------------------------------------------------------------
#$Date: 2020-11-06 14:22:29 +0200 (Fri, 06 Nov 2020) $
#$Revision: 258861 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/53/7705321.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7705321
loop_
_publ_author_name
'Leszczyńska, Kinga I'
'Deglmann, Peter'
'Präsang, Carsten'
'Huch, Volker'
'Zimmer, Michael'
'Schweinfurth, David'
'Scheschkewitz, David'
_publ_section_title
;
 Pentamethylcyclopentadienyl-substituted hypersilylsilylene: reversible
 and irreversible activation of C[double bond, length as m-dash]C double
 bonds and dihydrogen.
;
_journal_issue                   38
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13218
_journal_page_last               13225
_journal_paper_doi               10.1039/d0dt02943b
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'C29 H62 N2 Si6'
_chemical_formula_weight         607.34
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-08-26 deposited with the CCDC.	2020-08-28 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 111.6700(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.7576(4)
_cell_length_b                   34.3258(13)
_cell_length_c                   11.0315(4)
_cell_measurement_reflns_used    9615
_cell_measurement_temperature    130(2)
_cell_measurement_theta_max      35.66
_cell_measurement_theta_min      2.36
_cell_volume                     3785.6(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      130(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0413
_diffrn_reflns_av_unetI/netI     0.0304
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       56
_diffrn_reflns_limit_k_min       -56
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            116263
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         35.694
_diffrn_reflns_theta_min         2.122
_exptl_absorpt_coefficient_mu    0.240
_exptl_absorpt_correction_T_max  0.7470
_exptl_absorpt_correction_T_min  0.7070
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D., 
 J. Appl. Cryst. 48 (2015) 3-10 
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.066
_exptl_crystal_description       block
_exptl_crystal_F_000             1336
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: hexane'
_exptl_crystal_size_max          0.355
_exptl_crystal_size_mid          0.305
_exptl_crystal_size_min          0.206
_refine_diff_density_max         0.516
_refine_diff_density_min         -0.644
_refine_diff_density_rms         0.068
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.183
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     582
_refine_ls_number_reflns         17495
_refine_ls_number_restraints     75
_refine_ls_restrained_S_all      1.184
_refine_ls_R_factor_all          0.0864
_refine_ls_R_factor_gt           0.0736
_refine_ls_shift/su_max          0.036
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0277P)²+4.2996P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1595
_refine_ls_wR_factor_ref         0.1648
_reflns_Friedel_coverage         0.000
_reflns_number_gt                14530
_reflns_number_total             17495
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt02943b2.cif
_cod_data_source_block           sh4217
_cod_depositor_comments
'Adding full bibliography for 7705318--7705321.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7705321
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
_shelx_estimated_absorpt_t_min   0.920
_shelx_estimated_absorpt_t_max   0.952
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Si1A Si 0.3255(3) 0.62403(8) 0.5606(3) 0.0184(3) Uani 0.697(3) 1 d D . P A 1
Si2A Si 0.5512(2) 0.62268(8) 0.68674(17) 0.0159(3) Uani 0.697(3) 1 d D . P A 1
N1A N 0.2125(3) 0.66199(10) 0.5363(3) 0.0277(6) Uani 0.697(3) 1 d D . P A 1
N2A N 0.2085(5) 0.58884(15) 0.5650(8) 0.0274(8) Uani 0.697(3) 1 d D . P A 1
C1A C 0.4001(2) 0.61250(7) 0.4300(2) 0.0210(4) Uani 0.697(3) 1 d D . P A 1
C2A C 0.5417(2) 0.59852(7) 0.5243(2) 0.0202(4) Uani 0.697(3) 1 d D . P A 1
C3A C 0.6205(2) 0.63662(7) 0.5559(2) 0.0199(4) Uani 0.697(3) 1 d D . P A 1
C4A C 0.5471(2) 0.66507(7) 0.4515(2) 0.0208(4) Uani 0.697(3) 1 d D . P A 1
C5A C 0.4255(2) 0.65120(7) 0.3783(2) 0.0238(4) Uani 0.697(3) 1 d D . P A 1
C6A C 0.3220(3) 0.58338(10) 0.3243(3) 0.0349(6) Uani 0.697(3) 1 d D . P A 1
H6AA H 0.230703 0.593004 0.279057 0.052 Uiso 0.697(3) 1 calc R U P A 1
H6AB H 0.318822 0.558141 0.364636 0.052 Uiso 0.697(3) 1 calc R U P A 1
H6AC H 0.366317 0.580339 0.261650 0.052 Uiso 0.697(3) 1 calc R U P A 1
C7A C 0.6013(3) 0.56205(8) 0.4937(3) 0.0312(5) Uani 0.697(3) 1 d D . P A 1
H7AA H 0.547258 0.539564 0.498756 0.047 Uiso 0.697(3) 1 calc R U P A 1
H7AB H 0.692811 0.558880 0.556933 0.047 Uiso 0.697(3) 1 calc R U P A 1
H7AC H 0.602685 0.563887 0.405604 0.047 Uiso 0.697(3) 1 calc R U P A 1
C8A C 0.7712(2) 0.63399(9) 0.5954(3) 0.0277(5) Uani 0.697(3) 1 d D . P A 1
H8AA H 0.792762 0.627920 0.518536 0.042 Uiso 0.697(3) 1 calc R U P A 1
H8AB H 0.806219 0.613405 0.660702 0.042 Uiso 0.697(3) 1 calc R U P A 1
H8AC H 0.811924 0.658957 0.632285 0.042 Uiso 0.697(3) 1 calc R U P A 1
C9A C 0.6077(3) 0.70320(8) 0.4383(3) 0.0312(5) Uani 0.697(3) 1 d D . P A 1
H9AA H 0.684980 0.698626 0.413399 0.047 Uiso 0.697(3) 1 calc R U P A 1
H9AB H 0.636652 0.717085 0.521805 0.047 Uiso 0.697(3) 1 calc R U P A 1
H9AC H 0.541233 0.718914 0.371105 0.047 Uiso 0.697(3) 1 calc R U P A 1
C10A C 0.3182(3) 0.67074(10) 0.2679(3) 0.0331(6) Uani 0.697(3) 1 d D . P A 1
H10A H 0.304507 0.656641 0.186761 0.050 Uiso 0.697(3) 1 calc R U P A 1
H10B H 0.344714 0.697635 0.259944 0.050 Uiso 0.697(3) 1 calc R U P A 1
H10C H 0.234814 0.670760 0.284652 0.050 Uiso 0.697(3) 1 calc R U P A 1
C11A C 0.0826(5) 0.64510(16) 0.5004(5) 0.0343(9) Uani 0.697(3) 1 d D . P A 1
H11A H 0.003064 0.660229 0.469111 0.041 Uiso 0.697(3) 1 calc R U P A 1
C12A C 0.0811(6) 0.60703(18) 0.5138(11) 0.0340(12) Uani 0.697(3) 1 d D . P A 1
H12A H 0.000188 0.592668 0.490754 0.041 Uiso 0.697(3) 1 calc R U P A 1
C13A C 0.2280(4) 0.70265(11) 0.5848(3) 0.0309(6) Uani 0.697(3) 1 d D . P A 1
C14A C 0.1965(8) 0.7051(2) 0.7069(6) 0.0645(16) Uani 0.697(3) 1 d D . P A 1
H14A H 0.104303 0.696534 0.687694 0.097 Uiso 0.697(3) 1 calc R U P A 1
H14B H 0.206572 0.732140 0.737936 0.097 Uiso 0.697(3) 1 calc R U P A 1
H14C H 0.258070 0.688374 0.774392 0.097 Uiso 0.697(3) 1 calc R U P A 1
C15A C 0.1357(11) 0.7297(2) 0.4808(7) 0.077(3) Uani 0.697(3) 1 d D . P A 1
H15A H 0.146586 0.724945 0.397679 0.115 Uiso 0.697(3) 1 calc R U P A 1
H15B H 0.158374 0.756832 0.507216 0.115 Uiso 0.697(3) 1 calc R U P A 1
H15C H 0.042652 0.724660 0.470583 0.115 Uiso 0.697(3) 1 calc R U P A 1
C16A C 0.3712(6) 0.71621(17) 0.6163(7) 0.0544(15) Uani 0.697(3) 1 d D . P A 1
H16A H 0.432459 0.699316 0.683601 0.082 Uiso 0.697(3) 1 calc R U P A 1
H16B H 0.380715 0.743106 0.648254 0.082 Uiso 0.697(3) 1 calc R U P A 1
H16C H 0.392545 0.714937 0.537417 0.082 Uiso 0.697(3) 1 calc R U P A 1
C17A C 0.2167(7) 0.54748(19) 0.6060(6) 0.0354(11) Uani 0.697(3) 1 d D . P A 1
C18A C 0.1512(10) 0.5225(2) 0.4817(8) 0.057(2) Uani 0.697(3) 1 d D . P A 1
H18A H 0.059322 0.531458 0.434931 0.086 Uiso 0.697(3) 1 calc R U P A 1
H18B H 0.149996 0.495119 0.506406 0.086 Uiso 0.697(3) 1 calc R U P A 1
H18C H 0.202724 0.525129 0.425183 0.086 Uiso 0.697(3) 1 calc R U P A 1
C19A C 0.1451(9) 0.5422(2) 0.7010(8) 0.0444(13) Uani 0.697(3) 1 d D . P A 1
H19A H 0.050001 0.548401 0.656982 0.067 Uiso 0.697(3) 1 calc R U P A 1
H19B H 0.184608 0.559624 0.775770 0.067 Uiso 0.697(3) 1 calc R U P A 1
H19C H 0.154513 0.515122 0.731376 0.067 Uiso 0.697(3) 1 calc R U P A 1
C20A C 0.3643(8) 0.5367(4) 0.6687(12) 0.053(2) Uani 0.697(3) 1 d D . P A 1
H20A H 0.372621 0.509408 0.696558 0.079 Uiso 0.697(3) 1 calc R U P A 1
H20B H 0.407710 0.553448 0.744627 0.079 Uiso 0.697(3) 1 calc R U P A 1
H20C H 0.407396 0.540362 0.605276 0.079 Uiso 0.697(3) 1 calc R U P A 1
Si1B Si 0.3256(7) 0.6308(2) 0.5726(8) 0.0317(14) Uani 0.303(3) 1 d D . P A 2
Si2B Si 0.5518(7) 0.6255(3) 0.6912(6) 0.0390(17) Uani 0.303(3) 1 d D . P A 2
N1B N 0.2158(8) 0.6682(3) 0.5765(8) 0.039(2) Uani 0.303(3) 1 d D . P A 2
N2B N 0.2081(14) 0.5936(4) 0.550(2) 0.043(4) Uani 0.303(3) 1 d D . P A 2
C1B C 0.3967(5) 0.64146(19) 0.4341(5) 0.0288(12) Uani 0.303(3) 1 d D . P A 2
C2B C 0.5449(5) 0.65106(16) 0.5246(6) 0.0254(11) Uani 0.303(3) 1 d D . P A 2
C3B C 0.6060(5) 0.61084(17) 0.5465(5) 0.0238(10) Uani 0.303(3) 1 d D . P A 2
C4B C 0.5199(6) 0.58538(17) 0.4396(6) 0.0292(12) Uani 0.303(3) 1 d D . P A 2
C5B C 0.4031(6) 0.6029(2) 0.3712(7) 0.0333(13) Uani 0.303(3) 1 d D . P A 2
C6B C 0.3234(8) 0.6734(3) 0.3347(9) 0.047(2) Uani 0.303(3) 1 d D . P A 2
H6BA H 0.368533 0.677223 0.273003 0.070 Uiso 0.303(3) 1 calc R U P A 2
H6BB H 0.324427 0.697850 0.380927 0.070 Uiso 0.303(3) 1 calc R U P A 2
H6BC H 0.230588 0.665388 0.287054 0.070 Uiso 0.303(3) 1 calc R U P A 2
C7B C 0.6129(8) 0.6854(2) 0.4910(8) 0.0368(15) Uani 0.303(3) 1 d D . P A 2
H7BA H 0.594752 0.685320 0.397142 0.055 Uiso 0.303(3) 1 calc R U P A 2
H7BB H 0.709627 0.683666 0.539407 0.055 Uiso 0.303(3) 1 calc R U P A 2
H7BC H 0.578746 0.709544 0.514477 0.055 Uiso 0.303(3) 1 calc R U P A 2
C8B C 0.7571(6) 0.6081(3) 0.5803(7) 0.0363(15) Uani 0.303(3) 1 d D . P A 2
H8BA H 0.777426 0.614342 0.502950 0.054 Uiso 0.303(3) 1 calc R U P A 2
H8BB H 0.787578 0.581642 0.609597 0.054 Uiso 0.303(3) 1 calc R U P A 2
H8BC H 0.802911 0.626666 0.650118 0.054 Uiso 0.303(3) 1 calc R U P A 2
C9B C 0.5621(9) 0.5454(2) 0.4180(8) 0.0455(18) Uani 0.303(3) 1 d D . P A 2
H9BA H 0.486118 0.531672 0.354066 0.068 Uiso 0.303(3) 1 calc R U P A 2
H9BB H 0.592965 0.530978 0.500542 0.068 Uiso 0.303(3) 1 calc R U P A 2
H9BC H 0.635034 0.547157 0.385088 0.068 Uiso 0.303(3) 1 calc R U P A 2
C10B C 0.2866(8) 0.5884(3) 0.2587(8) 0.053(2) Uani 0.303(3) 1 d D . P A 2
H10D H 0.273398 0.604857 0.182437 0.079 Uiso 0.303(3) 1 calc R U P A 2
H10E H 0.206262 0.589160 0.280564 0.079 Uiso 0.303(3) 1 calc R U P A 2
H10F H 0.303510 0.561489 0.239001 0.079 Uiso 0.303(3) 1 calc R U P A 2
C11B C 0.0890(12) 0.6511(5) 0.5345(12) 0.049(4) Uani 0.303(3) 1 d D . P A 2
H11B H 0.010150 0.666364 0.512875 0.059 Uiso 0.303(3) 1 calc R U P A 2
C12B C 0.0842(14) 0.6137(5) 0.526(3) 0.062(7) Uani 0.303(3) 1 d D . P A 2
H12B H 0.002327 0.599907 0.505650 0.075 Uiso 0.303(3) 1 calc R U P A 2
C13B C 0.2359(11) 0.7079(3) 0.6318(9) 0.045(2) Uani 0.303(3) 1 d D . P A 2
C16B C 0.3806(14) 0.7188(4) 0.6712(14) 0.057(4) Uani 0.303(3) 1 d D . P A 2
H16D H 0.435783 0.700427 0.737227 0.086 Uiso 0.303(3) 1 calc R U P A 2
H16E H 0.394400 0.745210 0.707477 0.086 Uiso 0.303(3) 1 calc R U P A 2
H16F H 0.406238 0.717864 0.594738 0.086 Uiso 0.303(3) 1 calc R U P A 2
C14B C 0.1907(16) 0.7094(5) 0.7457(14) 0.062(4) Uani 0.303(3) 1 d D . P A 2
H14D H 0.093785 0.705323 0.714628 0.094 Uiso 0.303(3) 1 calc R U P A 2
H14E H 0.212919 0.734857 0.788241 0.094 Uiso 0.303(3) 1 calc R U P A 2
H14F H 0.236083 0.688878 0.808257 0.094 Uiso 0.303(3) 1 calc R U P A 2
C15B C 0.146(2) 0.7355(6) 0.5244(15) 0.082(8) Uani 0.303(3) 1 d D . P A 2
H15D H 0.169785 0.733321 0.446899 0.124 Uiso 0.303(3) 1 calc R U P A 2
H15E H 0.160087 0.762395 0.556470 0.124 Uiso 0.303(3) 1 calc R U P A 2
H15F H 0.052294 0.728303 0.501875 0.124 Uiso 0.303(3) 1 calc R U P A 2
C17B C 0.2103(14) 0.5538(4) 0.6025(16) 0.057(6) Uani 0.303(3) 1 d D . P A 2
C18B C 0.146(2) 0.5218(4) 0.4981(16) 0.049(5) Uani 0.303(3) 1 d D . P A 2
H18D H 0.050192 0.527396 0.453402 0.073 Uiso 0.303(3) 1 calc R U P A 2
H18E H 0.156524 0.496310 0.540708 0.073 Uiso 0.303(3) 1 calc R U P A 2
H18F H 0.189514 0.521602 0.434445 0.073 Uiso 0.303(3) 1 calc R U P A 2
C19B C 0.137(3) 0.5525(5) 0.698(2) 0.067(6) Uani 0.303(3) 1 d D . P A 2
H19D H 0.178652 0.571061 0.769329 0.100 Uiso 0.303(3) 1 calc R U P A 2
H19E H 0.142842 0.526183 0.734261 0.100 Uiso 0.303(3) 1 calc R U P A 2
H19F H 0.042945 0.559501 0.652448 0.100 Uiso 0.303(3) 1 calc R U P A 2
C20B C 0.3524(16) 0.5392(7) 0.682(3) 0.047(5) Uani 0.303(3) 1 d D . P A 2
H20D H 0.407667 0.541164 0.628432 0.071 Uiso 0.303(3) 1 calc R U P A 2
H20E H 0.348544 0.512029 0.706919 0.071 Uiso 0.303(3) 1 calc R U P A 2
H20F H 0.391675 0.555257 0.760195 0.071 Uiso 0.303(3) 1 calc R U P A 2
Si3 Si 0.69554(5) 0.61986(2) 0.90633(5) 0.02612(10) Uani 1 1 d . . . . .
Si4 Si 0.86520(5) 0.66748(2) 0.95377(6) 0.03452(13) Uani 1 1 d . . . . .
Si5 Si 0.78914(6) 0.55780(2) 0.96894(6) 0.03593(13) Uani 1 1 d . . . . .
Si6 Si 0.56705(6) 0.63523(2) 1.03226(5) 0.03235(12) Uani 1 1 d . . . . .
C21 C 0.7954(3) 0.71177(8) 0.8530(3) 0.0489(6) Uani 1 1 d . . . . .
H21A H 0.753398 0.704296 0.760998 0.073 Uiso 1 1 calc R U . . .
H21B H 0.867684 0.730368 0.863278 0.073 Uiso 1 1 calc R U . . .
H21C H 0.728426 0.723851 0.881738 0.073 Uiso 1 1 calc R U . . .
C22 C 0.9234(3) 0.68142(9) 1.1312(2) 0.0499(6) Uani 1 1 d . . . . .
H22A H 0.994127 0.701084 1.150383 0.075 Uiso 1 1 calc R U . . .
H22B H 0.958310 0.658323 1.185315 0.075 Uiso 1 1 calc R U . . .
H22C H 0.848074 0.692097 1.150172 0.075 Uiso 1 1 calc R U . . .
C23 C 1.0173(2) 0.64987(9) 0.9262(3) 0.0464(6) Uani 1 1 d . . . . .
H23A H 0.994196 0.644287 0.833351 0.070 Uiso 1 1 calc R U . . .
H23B H 1.050659 0.626096 0.977065 0.070 Uiso 1 1 calc R U . . .
H23C H 1.086750 0.670005 0.953890 0.070 Uiso 1 1 calc R U . . .
C24 C 0.9251(2) 0.56192(8) 1.1339(3) 0.0494(6) Uani 1 1 d . . . . .
H24A H 0.993510 0.580141 1.129743 0.074 Uiso 1 1 calc R U . . .
H24B H 0.965562 0.536261 1.161640 0.074 Uiso 1 1 calc R U . . .
H24C H 0.887315 0.571498 1.196668 0.074 Uiso 1 1 calc R U . . .
C25 C 0.8631(5) 0.53866(11) 0.8529(3) 0.0895(15) Uani 1 1 d . . . . .
H25A H 0.793361 0.536722 0.765649 0.134 Uiso 1 1 calc R U . . .
H25B H 0.901366 0.512819 0.881566 0.134 Uiso 1 1 calc R U . . .
H25C H 0.933554 0.556364 0.850310 0.134 Uiso 1 1 calc R U . . .
C26 C 0.6638(3) 0.52162(10) 0.9808(4) 0.0780(12) Uani 1 1 d . . . . .
H26A H 0.595881 0.517041 0.893909 0.117 Uiso 1 1 calc R U . . .
H26B H 0.620772 0.531823 1.038595 0.117 Uiso 1 1 calc R U . . .
H26C H 0.709084 0.497052 1.016231 0.117 Uiso 1 1 calc R U . . .
C27 C 0.6582(3) 0.61866(8) 1.2039(2) 0.0468(6) Uani 1 1 d . . . . .
H27A H 0.670349 0.590344 1.205198 0.070 Uiso 1 1 calc R U . . .
H27B H 0.606150 0.625538 1.257363 0.070 Uiso 1 1 calc R U . . .
H27C H 0.745806 0.631403 1.239143 0.070 Uiso 1 1 calc R U . . .
C28 C 0.4006(2) 0.61007(9) 0.9673(3) 0.0474(6) Uani 1 1 d . . . . .
H28A H 0.353324 0.617438 0.875926 0.071 Uiso 1 1 calc R U . . .
H28B H 0.347322 0.617842 1.018727 0.071 Uiso 1 1 calc R U . . .
H28C H 0.414051 0.581798 0.973409 0.071 Uiso 1 1 calc R U . . .
C29 C 0.5367(3) 0.68877(8) 1.0363(3) 0.0498(6) Uani 1 1 d . . . . .
H29A H 0.494161 0.698547 0.946979 0.075 Uiso 1 1 calc R U . . .
H29B H 0.622136 0.702200 1.079462 0.075 Uiso 1 1 calc R U . . .
H29C H 0.477964 0.693622 1.084655 0.075 Uiso 1 1 calc R U . . .
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'
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
N1A Si1A N2A 93.0(2) . . ?
N1A Si1A C1A 119.97(19) . . ?
N2A Si1A C1A 112.3(3) . . ?
N1A Si1A Si2A 129.0(2) . . ?
N2A Si1A Si2A 125.0(3) . . ?
C1A Si1A Si2A 79.14(12) . . ?
C3A Si2A C2A 46.64(11) . . ?
C3A Si2A Si1A 98.97(11) . . ?
C2A Si2A Si1A 76.54(12) . . ?
C3A Si2A Si3 119.69(12) . . ?
C2A Si2A Si3 136.37(14) . . ?
Si1A Si2A Si3 140.34(11) . . ?
C11A N1A C13A 116.8(3) . . ?
C11A N1A Si1A 107.3(3) . . ?
C13A N1A Si1A 132.3(3) . . ?
C12A N2A C17A 118.8(5) . . ?
C12A N2A Si1A 106.4(4) . . ?
C17A N2A Si1A 134.8(4) . . ?
C5A C1A C6A 114.3(2) . . ?
C5A C1A C2A 104.63(18) . . ?
C6A C1A C2A 115.5(2) . . ?
C5A C1A Si1A 106.53(19) . . ?
C6A C1A Si1A 116.06(19) . . ?
C2A C1A Si1A 97.90(17) . . ?
C7A C2A C3A 121.3(2) . . ?
C7A C2A C1A 119.8(2) . . ?
C3A C2A C1A 102.16(17) . . ?
C7A C2A Si2A 132.99(19) . . ?
C3A C2A Si2A 65.66(13) . . ?
C1A C2A Si2A 100.86(16) . . ?
C4A C3A C8A 117.70(19) . . ?
C4A C3A C2A 107.01(18) . . ?
C8A C3A C2A 117.3(2) . . ?
C4A C3A Si2A 120.14(16) . . ?
C8A C3A Si2A 116.17(17) . . ?
C2A C3A Si2A 67.70(14) . . ?
C5A C4A C9A 127.9(2) . . ?
C5A C4A C3A 110.6(2) . . ?
C9A C4A C3A 121.5(2) . . ?
C4A C5A C10A 128.2(2) . . ?
C4A C5A C1A 110.8(2) . . ?
C10A C5A C1A 120.7(2) . . ?
C1A C6A H6AA 109.5 . . ?
C1A C6A H6AB 109.5 . . ?
H6AA C6A H6AB 109.5 . . ?
C1A C6A H6AC 109.5 . . ?
H6AA C6A H6AC 109.5 . . ?
H6AB C6A H6AC 109.5 . . ?
C2A C7A H7AA 109.5 . . ?
C2A C7A H7AB 109.5 . . ?
H7AA C7A H7AB 109.5 . . ?
C2A C7A H7AC 109.5 . . ?
H7AA C7A H7AC 109.5 . . ?
H7AB C7A H7AC 109.5 . . ?
C3A C8A H8AA 109.5 . . ?
C3A C8A H8AB 109.5 . . ?
H8AA C8A H8AB 109.5 . . ?
C3A C8A H8AC 109.5 . . ?
H8AA C8A H8AC 109.5 . . ?
H8AB C8A H8AC 109.5 . . ?
C4A C9A H9AA 109.5 . . ?
C4A C9A H9AB 109.5 . . ?
H9AA C9A H9AB 109.5 . . ?
C4A C9A H9AC 109.5 . . ?
H9AA C9A H9AC 109.5 . . ?
H9AB C9A H9AC 109.5 . . ?
C5A C10A H10A 109.5 . . ?
C5A C10A H10B 109.5 . . ?
H10A C10A H10B 109.5 . . ?
C5A C10A H10C 109.5 . . ?
H10A C10A H10C 109.5 . . ?
H10B C10A H10C 109.5 . . ?
C12A C11A N1A 115.0(5) . . ?
C12A C11A H11A 122.5 . . ?
N1A C11A H11A 122.5 . . ?
C11A C12A N2A 115.6(5) . . ?
C11A C12A H12A 122.2 . . ?
N2A C12A H12A 122.2 . . ?
N1A C13A C14A 110.1(4) . . ?
N1A C13A C16A 109.9(3) . . ?
C14A C13A C16A 108.7(5) . . ?
N1A C13A C15A 110.3(4) . . ?
C14A C13A C15A 109.8(5) . . ?
C16A C13A C15A 108.0(6) . . ?
C13A C14A H14A 109.5 . . ?
C13A C14A H14B 109.5 . . ?
H14A C14A H14B 109.5 . . ?
C13A C14A H14C 109.5 . . ?
H14A C14A H14C 109.5 . . ?
H14B C14A H14C 109.5 . . ?
C13A C15A H15A 109.5 . . ?
C13A C15A H15B 109.5 . . ?
H15A C15A H15B 109.5 . . ?
C13A C15A H15C 109.5 . . ?
H15A C15A H15C 109.5 . . ?
H15B C15A H15C 109.5 . . ?
C13A C16A H16A 109.5 . . ?
C13A C16A H16B 109.5 . . ?
H16A C16A H16B 109.5 . . ?
C13A C16A H16C 109.5 . . ?
H16A C16A H16C 109.5 . . ?
H16B C16A H16C 109.5 . . ?
N2A C17A C19A 109.7(5) . . ?
N2A C17A C20A 107.7(6) . . ?
C19A C17A C20A 111.4(6) . . ?
N2A C17A C18A 107.7(5) . . ?
C19A C17A C18A 111.3(6) . . ?
C20A C17A C18A 108.9(7) . . ?
C17A C18A H18A 109.5 . . ?
C17A C18A H18B 109.5 . . ?
H18A C18A H18B 109.5 . . ?
C17A C18A H18C 109.5 . . ?
H18A C18A H18C 109.5 . . ?
H18B C18A H18C 109.5 . . ?
C17A C19A H19A 109.5 . . ?
C17A C19A H19B 109.5 . . ?
H19A C19A H19B 109.5 . . ?
C17A C19A H19C 109.5 . . ?
H19A C19A H19C 109.5 . . ?
H19B C19A H19C 109.5 . . ?
C17A C20A H20A 109.5 . . ?
C17A C20A H20B 109.5 . . ?
H20A C20A H20B 109.5 . . ?
C17A C20A H20C 109.5 . . ?
H20A C20A H20C 109.5 . . ?
H20B C20A H20C 109.5 . . ?
N2B Si1B N1B 94.5(6) . . ?
N2B Si1B C1B 119.4(8) . . ?
N1B Si1B C1B 109.8(5) . . ?
N2B Si1B Si2B 125.4(7) . . ?
N1B Si1B Si2B 128.5(5) . . ?
C1B Si1B Si2B 79.9(3) . . ?
C3B Si2B C2B 44.7(3) . . ?
C3B Si2B Si1B 97.3(3) . . ?
C2B Si2B Si1B 76.8(3) . . ?
C3B Si2B Si3 121.9(4) . . ?
C2B Si2B Si3 139.3(4) . . ?
Si1B Si2B Si3 139.0(3) . . ?
C11B N1B C13B 120.0(8) . . ?
C11B N1B Si1B 105.6(8) . . ?
C13B N1B Si1B 133.4(7) . . ?
C12B N2B C17B 113.2(12) . . ?
C12B N2B Si1B 104.5(9) . . ?
C17B N2B Si1B 135.4(11) . . ?
C5B C1B C6B 113.2(6) . . ?
C5B C1B C2B 105.6(4) . . ?
C6B C1B C2B 115.8(6) . . ?
C5B C1B Si1B 106.8(5) . . ?
C6B C1B Si1B 115.9(5) . . ?
C2B C1B Si1B 98.0(4) . . ?
C7B C2B C3B 122.2(5) . . ?
C7B C2B C1B 118.6(5) . . ?
C3B C2B C1B 100.9(4) . . ?
C7B C2B Si2B 135.2(5) . . ?
C3B C2B Si2B 65.7(4) . . ?
C1B C2B Si2B 100.1(4) . . ?
C4B C3B C2B 107.7(4) . . ?
C4B C3B C8B 116.9(5) . . ?
C2B C3B C8B 117.1(6) . . ?
C4B C3B Si2B 120.9(5) . . ?
C2B C3B Si2B 69.7(4) . . ?
C8B C3B Si2B 115.2(5) . . ?
C5B C4B C3B 111.2(5) . . ?
C5B C4B C9B 126.7(6) . . ?
C3B C4B C9B 122.1(6) . . ?
C4B C5B C10B 130.0(7) . . ?
C4B C5B C1B 109.0(5) . . ?
C10B C5B C1B 120.8(7) . . ?
C1B C6B H6BA 109.5 . . ?
C1B C6B H6BB 109.5 . . ?
H6BA C6B H6BB 109.5 . . ?
C1B C6B H6BC 109.5 . . ?
H6BA C6B H6BC 109.5 . . ?
H6BB C6B H6BC 109.5 . . ?
C2B C7B H7BA 109.5 . . ?
C2B C7B H7BB 109.5 . . ?
H7BA C7B H7BB 109.5 . . ?
C2B C7B H7BC 109.5 . . ?
H7BA C7B H7BC 109.5 . . ?
H7BB C7B H7BC 109.5 . . ?
C3B C8B H8BA 109.5 . . ?
C3B C8B H8BB 109.5 . . ?
H8BA C8B H8BB 109.5 . . ?
C3B C8B H8BC 109.5 . . ?
H8BA C8B H8BC 109.5 . . ?
H8BB C8B H8BC 109.5 . . ?
C4B C9B H9BA 109.5 . . ?
C4B C9B H9BB 109.5 . . ?
H9BA C9B H9BB 109.5 . . ?
C4B C9B H9BC 109.5 . . ?
H9BA C9B H9BC 109.5 . . ?
H9BB C9B H9BC 109.5 . . ?
C5B C10B H10D 109.5 . . ?
C5B C10B H10E 109.5 . . ?
H10D C10B H10E 109.5 . . ?
C5B C10B H10F 109.5 . . ?
H10D C10B H10F 109.5 . . ?
H10E C10B H10F 109.5 . . ?
C12B C11B N1B 116.8(12) . . ?
C12B C11B H11B 121.6 . . ?
N1B C11B H11B 121.6 . . ?
C11B C12B N2B 117.0(12) . . ?
C11B C12B H12B 121.5 . . ?
N2B C12B H12B 121.5 . . ?
N1B C13B C16B 109.2(8) . . ?
N1B C13B C14B 109.4(10) . . ?
C16B C13B C14B 111.7(10) . . ?
N1B C13B C15B 107.2(11) . . ?
C16B C13B C15B 110.8(12) . . ?
C14B C13B C15B 108.4(10) . . ?
C13B C16B H16D 109.5 . . ?
C13B C16B H16E 109.5 . . ?
H16D C16B H16E 109.5 . . ?
C13B C16B H16F 109.5 . . ?
H16D C16B H16F 109.5 . . ?
H16E C16B H16F 109.5 . . ?
C13B C14B H14D 109.5 . . ?
C13B C14B H14E 109.5 . . ?
H14D C14B H14E 109.5 . . ?
C13B C14B H14F 109.5 . . ?
H14D C14B H14F 109.5 . . ?
H14E C14B H14F 109.5 . . ?
C13B C15B H15D 109.5 . . ?
C13B C15B H15E 109.5 . . ?
H15D C15B H15E 109.5 . . ?
C13B C15B H15F 109.5 . . ?
H15D C15B H15F 109.5 . . ?
H15E C15B H15F 109.5 . . ?
N2B C17B C19B 110.9(13) . . ?
N2B C17B C20B 113.0(12) . . ?
C19B C17B C20B 104.8(14) . . ?
N2B C17B C18B 115.1(12) . . ?
C19B C17B C18B 106.6(12) . . ?
C20B C17B C18B 105.7(14) . . ?
C17B C18B H18D 109.4 . . ?
C17B C18B H18E 109.5 . . ?
H18D C18B H18E 109.5 . . ?
C17B C18B H18F 109.5 . . ?
H18D C18B H18F 109.5 . . ?
H18E C18B H18F 109.5 . . ?
C17B C19B H19D 109.5 . . ?
C17B C19B H19E 109.5 . . ?
H19D C19B H19E 109.5 . . ?
C17B C19B H19F 109.5 . . ?
H19D C19B H19F 109.5 . . ?
H19E C19B H19F 109.5 . . ?
C17B C20B H20D 109.5 . . ?
C17B C20B H20E 109.5 . . ?
H20D C20B H20E 109.5 . . ?
C17B C20B H20F 109.5 . . ?
H20D C20B H20F 109.5 . . ?
H20E C20B H20F 109.5 . . ?
Si2B Si3 Si5 115.4(2) . . ?
Si2A Si3 Si5 112.91(7) . . ?
Si2B Si3 Si6 105.73(17) . . ?
Si2A Si3 Si6 106.93(6) . . ?
Si5 Si3 Si6 108.14(3) . . ?
Si2B Si3 Si4 109.81(19) . . ?
Si2A Si3 Si4 111.27(6) . . ?
Si5 Si3 Si4 110.52(3) . . ?
Si6 Si3 Si4 106.77(3) . . ?
C21 Si4 C23 110.45(13) . . ?
C21 Si4 C22 108.54(13) . . ?
C23 Si4 C22 106.00(12) . . ?
C21 Si4 Si3 108.86(8) . . ?
C23 Si4 Si3 113.03(9) . . ?
C22 Si4 Si3 109.85(9) . . ?
C25 Si5 C24 108.46(17) . . ?
C25 Si5 C26 108.4(2) . . ?
C24 Si5 C26 107.82(14) . . ?
C25 Si5 Si3 111.35(11) . . ?
C24 Si5 Si3 108.28(9) . . ?
C26 Si5 Si3 112.36(12) . . ?
C27 Si6 C29 107.79(13) . . ?
C27 Si6 C28 108.43(13) . . ?
C29 Si6 C28 108.12(13) . . ?
C27 Si6 Si3 109.08(8) . . ?
C29 Si6 Si3 112.35(9) . . ?
C28 Si6 Si3 110.95(8) . . ?
Si4 C21 H21A 109.5 . . ?
Si4 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
Si4 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Si4 C22 H22A 109.5 . . ?
Si4 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
Si4 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
Si4 C23 H23A 109.5 . . ?
Si4 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
Si4 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
Si5 C24 H24A 109.5 . . ?
Si5 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
Si5 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Si5 C25 H25A 109.5 . . ?
Si5 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
Si5 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
Si5 C26 H26A 109.5 . . ?
Si5 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
Si5 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
Si6 C27 H27A 109.5 . . ?
Si6 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
Si6 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
Si6 C28 H28A 109.5 . . ?
Si6 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
Si6 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
Si6 C29 H29A 109.5 . . ?
Si6 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
Si6 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
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
Si1A N1A 1.734(4) . ?
Si1A N2A 1.758(5) . ?
Si1A C1A 1.931(4) . ?
Si1A Si2A 2.311(3) . ?
Si2A C3A 1.914(3) . ?
Si2A C2A 1.943(3) . ?
Si2A Si3 2.3473(18) . ?
N1A C11A 1.427(5) . ?
N1A C13A 1.482(5) . ?
N2A C12A 1.420(7) . ?
N2A C17A 1.483(7) . ?
C1A C5A 1.510(3) . ?
C1A C6A 1.530(4) . ?
C1A C2A 1.569(3) . ?
C2A C7A 1.500(3) . ?
C2A C3A 1.527(3) . ?
C3A C4A 1.494(3) . ?
C3A C8A 1.518(3) . ?
C4A C5A 1.345(3) . ?
C4A C9A 1.493(3) . ?
C5A C10A 1.492(4) . ?
C6A H6AA 0.9800 . ?
C6A H6AB 0.9800 . ?
C6A H6AC 0.9800 . ?
C7A H7AA 0.9800 . ?
C7A H7AB 0.9800 . ?
C7A H7AC 0.9800 . ?
C8A H8AA 0.9800 . ?
C8A H8AB 0.9800 . ?
C8A H8AC 0.9800 . ?
C9A H9AA 0.9800 . ?
C9A H9AB 0.9800 . ?
C9A H9AC 0.9800 . ?
C10A H10A 0.9800 . ?
C10A H10B 0.9800 . ?
C10A H10C 0.9800 . ?
C11A C12A 1.316(7) . ?
C11A H11A 0.9500 . ?
C12A H12A 0.9500 . ?
C13A C14A 1.508(6) . ?
C13A C16A 1.521(6) . ?
C13A C15A 1.524(7) . ?
C14A H14A 0.9800 . ?
C14A H14B 0.9800 . ?
C14A H14C 0.9800 . ?
C15A H15A 0.9800 . ?
C15A H15B 0.9800 . ?
C15A H15C 0.9800 . ?
C16A H16A 0.9800 . ?
C16A H16B 0.9800 . ?
C16A H16C 0.9800 . ?
C17A C19A 1.523(6) . ?
C17A C20A 1.525(7) . ?
C17A C18A 1.549(7) . ?
C18A H18A 0.9800 . ?
C18A H18B 0.9800 . ?
C18A H18C 0.9800 . ?
C19A H19A 0.9800 . ?
C19A H19B 0.9800 . ?
C19A H19C 0.9800 . ?
C20A H20A 0.9800 . ?
C20A H20B 0.9800 . ?
C20A H20C 0.9800 . ?
Si1B N2B 1.748(11) . ?
Si1B N1B 1.755(9) . ?
Si1B C1B 1.979(8) . ?
Si1B Si2B 2.305(9) . ?
Si2B C3B 1.956(8) . ?
Si2B C2B 2.013(8) . ?
Si2B Si3 2.313(6) . ?
N1B C11B 1.397(12) . ?
N1B C13B 1.477(11) . ?
N2B C12B 1.435(13) . ?
N2B C17B 1.481(13) . ?
C1B C5B 1.507(9) . ?
C1B C6B 1.546(9) . ?
C1B C2B 1.572(7) . ?
C2B C7B 1.504(8) . ?
C2B C3B 1.509(7) . ?
C3B C4B 1.485(8) . ?
C3B C8B 1.530(7) . ?
C4B C5B 1.345(8) . ?
C4B C9B 1.494(9) . ?
C5B C10B 1.486(9) . ?
C6B H6BA 0.9800 . ?
C6B H6BB 0.9800 . ?
C6B H6BC 0.9800 . ?
C7B H7BA 0.9800 . ?
C7B H7BB 0.9800 . ?
C7B H7BC 0.9800 . ?
C8B H8BA 0.9800 . ?
C8B H8BB 0.9800 . ?
C8B H8BC 0.9800 . ?
C9B H9BA 0.9800 . ?
C9B H9BB 0.9800 . ?
C9B H9BC 0.9800 . ?
C10B H10D 0.9800 . ?
C10B H10E 0.9800 . ?
C10B H10F 0.9800 . ?
C11B C12B 1.288(14) . ?
C11B H11B 0.9500 . ?
C12B H12B 0.9500 . ?
C13B C16B 1.501(15) . ?
C13B C14B 1.506(12) . ?
C13B C15B 1.545(14) . ?
C16B H16D 0.9800 . ?
C16B H16E 0.9800 . ?
C16B H16F 0.9800 . ?
C14B H14D 0.9800 . ?
C14B H14E 0.9800 . ?
C14B H14F 0.9800 . ?
C15B H15D 0.9800 . ?
C15B H15E 0.9800 . ?
C15B H15F 0.9800 . ?
C17B C19B 1.534(14) . ?
C17B C20B 1.537(13) . ?
C17B C18B 1.557(13) . ?
C18B H18D 0.9800 . ?
C18B H18E 0.9800 . ?
C18B H18F 0.9800 . ?
C19B H19D 0.9800 . ?
C19B H19E 0.9800 . ?
C19B H19F 0.9800 . ?
C20B H20D 0.9800 . ?
C20B H20E 0.9800 . ?
C20B H20F 0.9800 . ?
Si3 Si5 2.3483(8) . ?
Si3 Si6 2.3531(7) . ?
Si3 Si4 2.3604(8) . ?
Si4 C21 1.870(3) . ?
Si4 C23 1.872(3) . ?
Si4 C22 1.883(2) . ?
Si5 C25 1.859(3) . ?
Si5 C24 1.872(2) . ?
Si5 C26 1.873(3) . ?
Si6 C27 1.871(2) . ?
Si6 C29 1.870(3) . ?
Si6 C28 1.876(2) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
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 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
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 . ?
