#------------------------------------------------------------------------------
#$Date: 2018-09-11 15:27:57 +0300 (Tue, 11 Sep 2018) $
#$Revision: 210836 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/10/40/7104048.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_7104048
loop_
_publ_author_name
'Nath, Mahendra'
'Huffman, John C.'
'Zaleski, Jeffrey M.'
_publ_section_title
;
 Accelerated Bergman cyclization of porphyrinic-enediynes
;
_journal_coden_ASTM              CHCOFS
_journal_issue                   7
_journal_name_full
;
 Chemical Communications (Cambridge, United Kingdom)
;
_journal_page_first              858
_journal_page_last               859
_journal_paper_doi               10.1039/b212923j
_journal_year                    2003
_chemical_formula_moiety         C54H46N4Si2
_chemical_formula_sum            'C54 H46 N4 Si2'
_chemical_formula_weight         807.13
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_date             10/27/2002
_audit_creation_method           SHELXL-97
_cell_angle_alpha                115.102(3)
_cell_angle_beta                 104.733(3)
_cell_angle_gamma                93.997(3)
_cell_formula_units_Z            2
_cell_length_a                   12.5229(13)
_cell_length_b                   13.1739(14)
_cell_length_c                   15.3064(16)
_cell_measurement_reflns_used    3326
_cell_measurement_temperature    133(2)
_cell_measurement_theta_max      26.63
_cell_measurement_theta_min      2.18
_cell_volume                     2165.6(4)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1999)'
_computing_data_reduction        'SAINT (Bruker, 1999), XTEL (local package)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      133(2)
_diffrn_detector                 'CCD area detector'
_diffrn_detector_area_resol_mean 44.52
_diffrn_detector_type            'Bruker SMART 6000'
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_details
'   0.30 degree frames measured for  30.16 seconds each'
_diffrn_measurement_device       'three-circle goniometer with fixed chi'
_diffrn_measurement_device_type  'Bruker Platform goniometer'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1731
_diffrn_reflns_av_sigmaI/netI    0.2533
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            32370
_diffrn_reflns_theta_full        27.68
_diffrn_reflns_theta_max         27.68
_diffrn_reflns_theta_min         2.18
_diffrn_standards_decay_%        0.0
_exptl_absorpt_coefficient_mu    0.125
_exptl_absorpt_correction_T_max  0.9975
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            brown/orange
_exptl_crystal_density_diffrn    1.238
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             852
_exptl_crystal_id                MSC02141
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.118
_refine_diff_density_min         -0.494
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.859
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     547
_refine_ls_number_reflns         10026
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.859
_refine_ls_R_factor_all          0.2311
_refine_ls_R_factor_gt           0.0830
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1047P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1893
_refine_ls_wR_factor_ref         0.2496
_reflns_number_gt                3439
_reflns_number_total             10026
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b212923j.txt
_cod_data_source_block           02141
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7104048
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
N1 N -0.1381(3) -0.2219(3) 0.3914(3) 0.0217(9) Uani 1 1 d . . .
C2 C -0.2521(4) -0.2685(4) 0.3540(4) 0.0204(11) Uani 1 1 d . . .
C3 C -0.3053(4) -0.2482(4) 0.2689(4) 0.0240(12) Uani 1 1 d . . .
C4 C -0.2214(4) -0.1860(4) 0.2563(4) 0.0229(11) Uani 1 1 d . . .
C5 C -0.1173(4) -0.1699(4) 0.3341(4) 0.0207(11) Uani 1 1 d . . .
C6 C -0.0111(4) -0.1138(4) 0.3474(4) 0.0192(11) Uani 1 1 d . . .
C7 C 0.0917(4) -0.1028(4) 0.4176(4) 0.0221(11) Uani 1 1 d . . .
C8 C 0.1975(4) -0.0382(4) 0.4340(4) 0.0253(12) Uani 1 1 d . . .
H61 H 0.2100 0.0073 0.4019 0.030 Uiso 1 1 calc R . .
C9 C 0.2778(4) -0.0534(4) 0.5043(4) 0.0278(12) Uani 1 1 d . . .
H62 H 0.3560 -0.0203 0.5297 0.033 Uiso 1 1 calc R . .
C10 C 0.2232(4) -0.1279(4) 0.5326(4) 0.0242(12) Uani 1 1 d . . .
N11 N 0.1103(3) -0.1536(3) 0.4801(3) 0.0187(9) Uani 1 1 d . . .
H105 H 0.0578 -0.1963 0.4858 0.022 Uiso 1 1 calc R . .
C12 C 0.2772(4) -0.1715(4) 0.5976(4) 0.0237(12) Uani 1 1 d . . .
C13 C 0.2216(4) -0.2475(4) 0.6222(4) 0.0250(12) Uani 1 1 d . . .
C14 C 0.2768(5) -0.2832(5) 0.6970(4) 0.0350(14) Uani 1 1 d . . .
H63 H 0.3554 -0.2665 0.7315 0.042 Uiso 1 1 calc R . .
C15 C 0.1957(5) -0.3440(5) 0.7080(4) 0.0324(14) Uani 1 1 d . . .
H64 H 0.2061 -0.3784 0.7522 0.039 Uiso 1 1 calc R . .
C16 C 0.0887(4) -0.3479(4) 0.6401(4) 0.0247(12) Uani 1 1 d . . .
N17 N 0.1074(4) -0.2888(3) 0.5881(3) 0.0257(10) Uani 1 1 d . . .
C18 C -0.0181(5) -0.3950(4) 0.6364(4) 0.0244(12) Uani 1 1 d . . .
C19 C -0.1211(4) -0.3961(4) 0.5749(4) 0.0224(11) Uani 1 1 d . . .
C20 C -0.2299(5) -0.4468(5) 0.5679(4) 0.0317(13) Uani 1 1 d . . .
H65 H -0.2432 -0.4879 0.6036 0.038 Uiso 1 1 calc R . .
C21 C -0.3102(5) -0.4273(5) 0.5029(4) 0.0288(13) Uani 1 1 d . . .
H66 H -0.3894 -0.4508 0.4854 0.035 Uiso 1 1 calc R . .
C22 C -0.2534(4) -0.3638(4) 0.4646(4) 0.0225(11) Uani 1 1 d . . .
N23 N -0.1403(4) -0.3479(3) 0.5098(3) 0.0229(10) Uani 1 1 d . . .
H106 H -0.0873 -0.3118 0.4989 0.027 Uiso 1 1 calc R . .
C24 C -0.3066(4) -0.3288(4) 0.3934(4) 0.0224(11) Uani 1 1 d . . .
C25 C -0.4208(4) -0.2952(4) 0.1967(4) 0.0252(12) Uani 1 1 d . . .
C26 C -0.5129(5) -0.3337(5) 0.1321(5) 0.0341(14) Uani 1 1 d . . .
Si27 Si -0.65386(14) -0.40191(14) 0.03328(12) 0.0337(4) Uani 1 1 d . . .
C28 C -0.7013(5) -0.5477(4) 0.0159(5) 0.0406(15) Uani 1 1 d . . .
H69 H -0.7711 -0.5854 -0.0414 0.061 Uiso 1 1 calc R . .
H68 H -0.7149 -0.5424 0.0778 0.061 Uiso 1 1 calc R . .
H67 H -0.6429 -0.5925 0.0020 0.061 Uiso 1 1 calc R . .
C29 C -0.7585(4) -0.3128(5) 0.0760(5) 0.0409(16) Uani 1 1 d . . .
H72 H -0.7405 -0.2389 0.0764 0.061 Uiso 1 1 calc R . .
H70 H -0.7551 -0.3000 0.1446 0.061 Uiso 1 1 calc R . .
H71 H -0.8346 -0.3528 0.0292 0.061 Uiso 1 1 calc R . .
C30 C -0.6428(6) -0.4117(6) -0.0872(5) 0.0525(18) Uani 1 1 d . . .
H74 H -0.6260 -0.3345 -0.0806 0.079 Uiso 1 1 calc R . .
H73 H -0.7144 -0.4541 -0.1413 0.079 Uiso 1 1 calc R . .
H75 H -0.5823 -0.4518 -0.1041 0.079 Uiso 1 1 calc R . .
C31 C -0.2430(4) -0.1523(4) 0.1764(4) 0.0280(12) Uani 1 1 d . . .
C32 C -0.2676(5) -0.1256(5) 0.1080(4) 0.0334(13) Uani 1 1 d . . .
Si33 Si -0.30552(14) -0.09864(14) -0.00436(12) 0.0343(4) Uani 1 1 d . . .
C34 C -0.4586(5) -0.1461(6) -0.0676(6) 0.0575(19) Uani 1 1 d . . .
H76 H -0.4809 -0.2271 -0.0859 0.086 Uiso 1 1 calc R . .
H78 H -0.4786 -0.1360 -0.1293 0.086 Uiso 1 1 calc R . .
H77 H -0.4979 -0.1004 -0.0215 0.086 Uiso 1 1 calc R . .
C35 C -0.2343(5) -0.1891(4) -0.0895(4) 0.0336(14) Uani 1 1 d . . .
H80 H -0.1526 -0.1667 -0.0555 0.050 Uiso 1 1 calc R . .
H81 H -0.2519 -0.1798 -0.1515 0.050 Uiso 1 1 calc R . .
H79 H -0.2600 -0.2694 -0.1071 0.050 Uiso 1 1 calc R . .
C36 C -0.2595(5) 0.0545(5) 0.0320(5) 0.0398(15) Uani 1 1 d . . .
H84 H -0.2850 0.1019 0.0891 0.060 Uiso 1 1 calc R . .
H83 H -0.2922 0.0689 -0.0260 0.060 Uiso 1 1 calc R . .
H82 H -0.1771 0.0736 0.0522 0.060 Uiso 1 1 calc R . .
C37 C 0.0011(4) -0.0673(4) 0.2755(3) 0.0185(11) Uani 1 1 d . . .
C38 C -0.0151(4) 0.0404(4) 0.2913(4) 0.0273(12) Uani 1 1 d . . .
H85 H -0.0365 0.0869 0.3485 0.033 Uiso 1 1 calc R . .
C39 C -0.0005(5) 0.0825(5) 0.2244(4) 0.0363(14) Uani 1 1 d . . .
H86 H -0.0135 0.1565 0.2353 0.044 Uiso 1 1 calc R . .
C40 C 0.0331(4) 0.0156(5) 0.1423(4) 0.0307(13) Uani 1 1 d . . .
H87 H 0.0453 0.0444 0.0976 0.037 Uiso 1 1 calc R . .
C41 C 0.0487(4) -0.0921(5) 0.1255(4) 0.0284(13) Uani 1 1 d . . .
H88 H 0.0695 -0.1387 0.0678 0.034 Uiso 1 1 calc R . .
C42 C 0.0345(4) -0.1335(5) 0.1919(4) 0.0261(12) Uani 1 1 d . . .
H89 H 0.0475 -0.2076 0.1805 0.031 Uiso 1 1 calc R . .
C43 C 0.4022(4) -0.1336(4) 0.6433(4) 0.0252(12) Uani 1 1 d . . .
C44 C 0.4736(4) -0.2095(5) 0.6192(4) 0.0307(13) Uani 1 1 d . . .
H90 H 0.4426 -0.2884 0.5746 0.037 Uiso 1 1 calc R . .
C45 C 0.5904(5) -0.1721(6) 0.6594(4) 0.0424(16) Uani 1 1 d . . .
H91 H 0.6389 -0.2249 0.6434 0.051 Uiso 1 1 calc R . .
C46 C 0.6351(5) -0.0560(6) 0.7233(5) 0.0474(18) Uani 1 1 d . . .
H92 H 0.7144 -0.0285 0.7491 0.057 Uiso 1 1 calc R . .
C47 C 0.5639(6) 0.0185(6) 0.7488(5) 0.0534(19) Uani 1 1 d . . .
H93 H 0.5949 0.0972 0.7939 0.064 Uiso 1 1 calc R . .
C48 C 0.4483(5) -0.0185(5) 0.7103(5) 0.0435(16) Uani 1 1 d . . .
H94 H 0.4004 0.0343 0.7293 0.052 Uiso 1 1 calc R . .
C49 C -0.0193(4) -0.4397(4) 0.7114(4) 0.0215(11) Uani 1 1 d . . .
C50 C 0.0201(4) -0.5386(4) 0.7051(4) 0.0268(12) Uani 1 1 d . . .
H95 H 0.0482 -0.5805 0.6509 0.032 Uiso 1 1 calc R . .
C51 C 0.0187(5) -0.5759(4) 0.7767(4) 0.0318(13) Uani 1 1 d . . .
H96 H 0.0454 -0.6434 0.7710 0.038 Uiso 1 1 calc R . .
C52 C -0.0209(4) -0.5164(4) 0.8562(4) 0.0265(12) Uani 1 1 d . . .
H97 H -0.0229 -0.5435 0.9044 0.032 Uiso 1 1 calc R . .
C53 C -0.0577(4) -0.4171(5) 0.8653(4) 0.0280(12) Uani 1 1 d . . .
H98 H -0.0835 -0.3745 0.9208 0.034 Uiso 1 1 calc R . .
C54 C -0.0572(5) -0.3794(4) 0.7935(4) 0.0296(13) Uani 1 1 d . . .
H99 H -0.0831 -0.3112 0.8004 0.036 Uiso 1 1 calc R . .
C55 C -0.4329(4) -0.3512(4) 0.3604(4) 0.0252(12) Uani 1 1 d . . .
C56 C -0.4883(4) -0.2608(5) 0.3829(4) 0.0298(13) Uani 1 1 d . . .
H100 H -0.4453 -0.1847 0.4181 0.036 Uiso 1 1 calc R . .
C57 C -0.6040(5) -0.2780(6) 0.3556(4) 0.0429(16) Uani 1 1 d . . .
H101 H -0.6393 -0.2137 0.3708 0.051 Uiso 1 1 calc R . .
C58 C -0.6691(6) -0.3854(7) 0.3072(5) 0.0515(18) Uani 1 1 d . . .
H102 H -0.7489 -0.3962 0.2897 0.062 Uiso 1 1 calc R . .
C59 C -0.6176(5) -0.4776(6) 0.2842(4) 0.0482(18) Uani 1 1 d . . .
H103 H -0.6623 -0.5527 0.2511 0.058 Uiso 1 1 calc R . .
C60 C -0.4977(5) -0.4627(5) 0.3093(4) 0.0383(15) Uani 1 1 d . . .
H104 H -0.4627 -0.5270 0.2916 0.046 Uiso 1 1 calc R . .
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
C2 N1 C5 106.9(4) . . ?
N1 C2 C24 124.0(4) . . ?
N1 C2 C3 110.1(4) . . ?
C24 C2 C3 125.9(4) . . ?
C4 C3 C2 106.8(4) . . ?
C4 C3 C25 123.4(4) . . ?
C2 C3 C25 129.3(4) . . ?
C3 C4 C31 122.4(4) . . ?
C3 C4 C5 106.5(4) . . ?
C31 C4 C5 131.0(4) . . ?
N1 C5 C6 124.6(4) . . ?
N1 C5 C4 109.7(4) . . ?
C6 C5 C4 125.6(4) . . ?
C5 C6 C7 126.9(4) . . ?
C5 C6 C37 119.2(4) . . ?
C7 C6 C37 113.7(4) . . ?
N11 C7 C6 127.1(4) . . ?
N11 C7 C8 107.4(4) . . ?
C6 C7 C8 125.5(4) . . ?
C9 C8 C7 107.9(4) . . ?
C8 C9 C10 107.7(5) . . ?
N11 C10 C12 127.0(5) . . ?
N11 C10 C9 107.3(4) . . ?
C12 C10 C9 125.7(5) . . ?
C7 N11 C10 109.7(4) . . ?
C10 C12 C13 124.6(5) . . ?
C10 C12 C43 117.0(4) . . ?
C13 C12 C43 118.5(4) . . ?
N17 C13 C12 125.6(4) . . ?
N17 C13 C14 110.1(4) . . ?
C12 C13 C14 124.0(5) . . ?
C15 C14 C13 106.8(5) . . ?
C14 C15 C16 107.6(4) . . ?
N17 C16 C18 125.5(5) . . ?
N17 C16 C15 109.4(4) . . ?
C18 C16 C15 124.8(4) . . ?
C13 N17 C16 106.2(4) . . ?
C19 C18 C16 125.8(4) . . ?
C19 C18 C49 117.6(4) . . ?
C16 C18 C49 116.5(4) . . ?
N23 C19 C18 127.6(5) . . ?
N23 C19 C20 106.1(4) . . ?
C18 C19 C20 126.3(4) . . ?
C21 C20 C19 109.4(4) . . ?
C20 C21 C22 107.2(5) . . ?
N23 C22 C24 127.7(4) . . ?
N23 C22 C21 107.0(4) . . ?
C24 C22 C21 125.3(5) . . ?
C22 N23 C19 110.4(4) . . ?
C22 C24 C2 125.9(5) . . ?
C22 C24 C55 116.8(4) . . ?
C2 C24 C55 117.2(4) . . ?
C26 C25 C3 175.4(5) . . ?
C25 C26 Si27 176.2(5) . . ?
C30 Si27 C28 109.1(3) . . ?
C30 Si27 C26 108.6(3) . . ?
C28 Si27 C26 110.7(3) . . ?
C30 Si27 C29 111.2(3) . . ?
C28 Si27 C29 108.5(3) . . ?
C26 Si27 C29 108.7(3) . . ?
C32 C31 C4 176.4(6) . . ?
C31 C32 Si33 174.8(5) . . ?
C35 Si33 C34 108.7(3) . . ?
C35 Si33 C36 111.4(3) . . ?
C34 Si33 C36 111.0(3) . . ?
C35 Si33 C32 105.3(3) . . ?
C34 Si33 C32 109.1(3) . . ?
C36 Si33 C32 111.3(3) . . ?
C38 C37 C42 118.5(5) . . ?
C38 C37 C6 122.2(4) . . ?
C42 C37 C6 119.2(4) . . ?
C37 C38 C39 121.0(5) . . ?
C40 C39 C38 119.5(5) . . ?
C41 C40 C39 120.0(5) . . ?
C40 C41 C42 120.4(5) . . ?
C41 C42 C37 120.6(5) . . ?
C44 C43 C48 119.2(5) . . ?
C44 C43 C12 121.6(5) . . ?
C48 C43 C12 119.2(5) . . ?
C43 C44 C45 121.0(6) . . ?
C46 C45 C44 119.1(6) . . ?
C47 C46 C45 119.7(6) . . ?
C46 C47 C48 121.4(6) . . ?
C47 C48 C43 119.7(6) . . ?
C54 C49 C50 117.6(4) . . ?
C54 C49 C18 119.7(4) . . ?
C50 C49 C18 122.7(4) . . ?
C51 C50 C49 120.7(5) . . ?
C52 C51 C50 120.9(5) . . ?
C51 C52 C53 119.4(5) . . ?
C52 C53 C54 120.1(5) . . ?
C53 C54 C49 121.3(5) . . ?
C56 C55 C60 118.3(5) . . ?
C56 C55 C24 120.0(5) . . ?
C60 C55 C24 121.7(5) . . ?
C57 C56 C55 121.7(6) . . ?
C58 C57 C56 121.3(6) . . ?
C57 C58 C59 118.9(6) . . ?
C58 C59 C60 121.1(6) . . ?
C55 C60 C59 118.7(6) . . ?
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
N1 C2 1.380(6) . ?
N1 C5 1.382(6) . ?
C2 C24 1.414(6) . ?
C2 C3 1.447(6) . ?
C3 C4 1.387(7) . ?
C3 C25 1.476(7) . ?
C4 C31 1.441(7) . ?
C4 C5 1.456(7) . ?
C5 C6 1.397(7) . ?
C6 C7 1.404(7) . ?
C6 C37 1.501(6) . ?
C7 N11 1.367(6) . ?
C7 C8 1.427(7) . ?
C8 C9 1.367(7) . ?
C9 C10 1.428(7) . ?
C10 N11 1.373(6) . ?
C10 C12 1.405(7) . ?
C12 C13 1.409(7) . ?
C12 C43 1.492(7) . ?
C13 N17 1.372(7) . ?
C13 C14 1.452(7) . ?
C14 C15 1.338(7) . ?
C15 C16 1.454(7) . ?
C16 N17 1.376(6) . ?
C16 C18 1.411(7) . ?
C18 C19 1.385(7) . ?
C18 C49 1.499(6) . ?
C19 N23 1.374(6) . ?
C19 C20 1.433(7) . ?
C20 C21 1.347(7) . ?
C21 C22 1.447(7) . ?
C22 N23 1.366(6) . ?
C22 C24 1.395(7) . ?
C24 C55 1.499(7) . ?
C25 C26 1.216(7) . ?
C26 Si27 1.865(6) . ?
Si27 C30 1.835(6) . ?
Si27 C28 1.855(5) . ?
Si27 C29 1.877(6) . ?
C31 C32 1.216(7) . ?
C32 Si33 1.854(6) . ?
Si33 C35 1.827(6) . ?
Si33 C34 1.838(6) . ?
Si33 C36 1.853(5) . ?
C37 C38 1.374(7) . ?
C37 C42 1.396(7) . ?
C38 C39 1.396(7) . ?
C39 C40 1.384(7) . ?
C40 C41 1.368(7) . ?
C41 C42 1.383(7) . ?
C43 C44 1.385(7) . ?
C43 C48 1.393(7) . ?
C44 C45 1.395(8) . ?
C45 C46 1.393(9) . ?
C46 C47 1.373(9) . ?
C47 C48 1.380(8) . ?
C49 C54 1.394(7) . ?
C49 C50 1.399(7) . ?
C50 C51 1.382(7) . ?
C51 C52 1.375(7) . ?
C52 C53 1.381(7) . ?
C53 C54 1.385(7) . ?
C55 C56 1.382(7) . ?
C55 C60 1.400(7) . ?
C56 C57 1.375(8) . ?
C57 C58 1.364(9) . ?
C58 C59 1.370(9) . ?
C59 C60 1.429(8) . ?
loop_
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1 ChemSpider 21198924
