#------------------------------------------------------------------------------
#$Date: 2016-03-25 15:52:06 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179940 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/35/7023500.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_7023500
loop_
_publ_author_name
'Li, Yan'
'Wang, Jinjin'
'Wu, Yile'
'Zhu, Hongping'
'Samuel, Prinson P.'
'Roesky, Herbert W.'
_publ_section_title
;
 Synthesis of metallasiloxanes of group 13-15 and their application in
 catalysis.
;
_journal_issue                   37
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13715
_journal_page_last               13722
_journal_paper_doi               10.1039/c3dt51408k
_journal_volume                  42
_journal_year                    2013
_chemical_formula_sum            'C40 H78 Bi2 N4 O4 Si4'
_chemical_formula_weight         1209.38
_chemical_name_systematic
; 
 ? 
;
_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_method           SHELXL-97
_cell_angle_alpha                111.32(2)
_cell_angle_beta                 97.198(19)
_cell_angle_gamma                101.63(2)
_cell_formula_units_Z            1
_cell_length_a                   9.819(2)
_cell_length_b                   11.045(3)
_cell_length_c                   13.189(3)
_cell_measurement_reflns_used    1754
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      29.0122
_cell_measurement_theta_min      2.8651
_cell_volume                     1273.8(6)
_computing_cell_refinement       CrysAlisPro
_computing_data_collection       CrysAlisPro
_computing_data_reduction        CrysAlisPro
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 16.1903
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Xcalibur, Sapphire3, Gemini ultra'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1256
_diffrn_reflns_av_unetI/netI     0.2156
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            8581
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.87
_exptl_absorpt_coefficient_mu    7.030
_exptl_absorpt_correction_T_max  0.7201
_exptl_absorpt_correction_T_min  0.3337
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   empirical
_exptl_crystal_colour            light-yellow
_exptl_crystal_density_diffrn    1.576
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             600
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.393
_refine_diff_density_min         -1.479
_refine_diff_density_rms         0.257
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.956
_refine_ls_hydrogen_treatment
'refined in a riding mode to the carrier atom'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     284
_refine_ls_number_reflns         4957
_refine_ls_number_restraints     187
_refine_ls_restrained_S_all      0.938
_refine_ls_R_factor_all          0.1278
_refine_ls_R_factor_gt           0.0800
_refine_ls_shift/su_max          0.019
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1335
_refine_ls_wR_factor_ref         0.1537
_reflns_number_gt                3407
_reflns_number_total             4957
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt51408k.txt
_cod_data_source_block           compound_1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        1273.9(5)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7023500
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
Bi1 Bi -0.42211(6) 0.24544(5) -0.45425(5) 0.02457(18) Uani 1 1 d . . .
Si1 Si -0.2897(4) 0.0182(4) -0.3805(3) 0.0218(9) Uani 1 1 d . . .
Si2 Si -0.1796(5) 0.0663(4) -0.1357(3) 0.0300(10) Uani 1 1 d . . .
O1 O -0.4344(10) -0.0995(9) -0.4042(8) 0.035(3) Uani 1 1 d . . .
O2 O -0.3077(9) 0.1093(8) -0.4541(7) 0.027(2) Uiso 1 1 d . . .
N1 N -0.3009(14) 0.3216(10) -0.5478(9) 0.036(3) Uani 1 1 d D . .
N2 N -0.2484(11) 0.1196(10) -0.2380(8) 0.020(2) Uiso 1 1 d . . .
C1 C -0.268(6) 0.459(2) -0.537(4) 0.049(4) Uani 0.41(4) 1 d PDU A 2
H1B H -0.1665 0.4881 -0.5386 0.059 Uiso 0.41(4) 1 calc PR A 2
H1C H -0.2808 0.5168 -0.4628 0.059 Uiso 0.41(4) 1 calc PR A 2
C2 C -0.360(4) 0.484(5) -0.628(4) 0.050(4) Uani 0.41(4) 1 d PDU A 2
H2A H -0.3464 0.5814 -0.6057 0.075 Uiso 0.41(4) 1 calc PR A 2
H2B H -0.4606 0.4406 -0.6366 0.075 Uiso 0.41(4) 1 calc PR A 2
H2C H -0.3309 0.4462 -0.6986 0.075 Uiso 0.41(4) 1 calc PR A 2
C1A C -0.252(4) 0.4685(18) -0.501(3) 0.047(4) Uani 0.59(4) 1 d PDU A 1
H1AA H -0.1515 0.4956 -0.5065 0.057 Uiso 0.59(4) 1 calc PR A 1
H1AB H -0.2556 0.5040 -0.4216 0.057 Uiso 0.59(4) 1 calc PR A 1
C2A C -0.341(3) 0.533(3) -0.561(3) 0.049(4) Uani 0.59(4) 1 d PDU A 1
H2AA H -0.3315 0.6264 -0.5107 0.074 Uiso 0.59(4) 1 calc PR A 1
H2AB H -0.4414 0.4818 -0.5825 0.074 Uiso 0.59(4) 1 calc PR A 1
H2AC H -0.3067 0.5322 -0.6279 0.074 Uiso 0.59(4) 1 calc PR A 1
C10 C -0.1423(15) -0.0605(14) -0.4177(10) 0.032(4) Uani 1 1 d . . .
H10A H -0.1672 -0.1201 -0.4971 0.049 Uiso 1 1 calc R . .
H10B H -0.1274 -0.1130 -0.3733 0.049 Uiso 1 1 calc R . .
H10C H -0.0547 0.0102 -0.4022 0.049 Uiso 1 1 calc R . .
C3 C -0.304(4) 0.242(5) -0.6633(19) 0.049(4) Uani 0.53(7) 1 d PDU A 2
H3A H -0.3241 0.2902 -0.7111 0.059 Uiso 0.53(7) 1 calc PR A 2
H3B H -0.3764 0.1539 -0.6915 0.059 Uiso 0.53(7) 1 calc PR A 2
C4 C -0.152(4) 0.223(4) -0.659(3) 0.049(4) Uani 0.53(7) 1 d PDU A 2
H4A H -0.1347 0.1915 -0.7348 0.074 Uiso 0.53(7) 1 calc PR A 2
H4B H -0.1432 0.1560 -0.6281 0.074 Uiso 0.53(7) 1 calc PR A 2
H4C H -0.0826 0.3090 -0.6122 0.074 Uiso 0.53(7) 1 calc PR A 2
C3A C -0.269(6) 0.232(5) -0.649(3) 0.049(4) Uani 0.47(7) 1 d PDU A 1
H3AA H -0.3339 0.2322 -0.7132 0.059 Uiso 0.47(7) 1 calc PR A 1
H3AB H -0.2952 0.1399 -0.6515 0.059 Uiso 0.47(7) 1 calc PR A 1
C4A C -0.117(5) 0.258(5) -0.671(4) 0.050(4) Uani 0.47(7) 1 d PDU A 1
H4AA H -0.1129 0.1853 -0.7396 0.075 Uiso 0.47(7) 1 calc PR A 1
H4AB H -0.0489 0.2616 -0.6082 0.075 Uiso 0.47(7) 1 calc PR A 1
H4AC H -0.0917 0.3444 -0.6789 0.075 Uiso 0.47(7) 1 calc PR A 1
C11 C -0.2625(14) 0.2562(13) -0.2056(11) 0.026(3) Uani 1 1 d . . .
C12 C -0.1512(15) 0.3582(12) -0.2101(11) 0.026(3) Uani 1 1 d U . .
C13 C -0.1730(16) 0.4841(13) -0.1896(12) 0.033(3) Uani 1 1 d U . .
H13A H -0.1013 0.5521 -0.1950 0.040 Uiso 1 1 calc R . .
C14 C -0.2963(16) 0.5126(14) -0.1616(11) 0.034(3) Uani 1 1 d U . .
H14A H -0.3101 0.5993 -0.1486 0.041 Uiso 1 1 calc R . .
C15 C -0.3999(16) 0.4154(14) -0.1524(12) 0.035(4) Uani 1 1 d U . .
H15A H -0.4815 0.4389 -0.1279 0.042 Uiso 1 1 calc R . .
C16 C -0.3907(15) 0.2864(14) -0.1769(11) 0.028(3) Uani 1 1 d U . .
C17 C -0.215(2) 0.1628(17) 0.0024(12) 0.060(6) Uani 1 1 d . . .
H17A H -0.2362 0.2461 0.0029 0.090 Uiso 1 1 calc R . .
H17B H -0.1315 0.1852 0.0612 0.090 Uiso 1 1 calc R . .
H17C H -0.2973 0.1079 0.0157 0.090 Uiso 1 1 calc R . .
C18 C 0.0131(19) 0.0874(19) -0.1144(16) 0.069(6) Uani 1 1 d . . .
H18A H 0.0402 0.0594 -0.1869 0.104 Uiso 1 1 calc R . .
H18B H 0.0394 0.0318 -0.0759 0.104 Uiso 1 1 calc R . .
H18C H 0.0630 0.1824 -0.0692 0.104 Uiso 1 1 calc R . .
C19 C -0.2685(18) -0.1171(15) -0.1779(13) 0.054(5) Uani 1 1 d . . .
H19A H -0.2529 -0.1694 -0.2513 0.081 Uiso 1 1 calc R . .
H19B H -0.3710 -0.1297 -0.1816 0.081 Uiso 1 1 calc R . .
H19C H -0.2282 -0.1479 -0.1229 0.081 Uiso 1 1 calc R . .
C121 C -0.0083(15) 0.3326(15) -0.2325(12) 0.035(4) Uani 1 1 d . . .
H12A H -0.0111 0.2375 -0.2438 0.042 Uiso 1 1 calc R . .
C122 C 0.021(2) 0.3533(18) -0.3380(15) 0.065(6) Uani 1 1 d . . .
H12B H 0.1063 0.3245 -0.3566 0.098 Uiso 1 1 calc R . .
H12C H 0.0369 0.4490 -0.3242 0.098 Uiso 1 1 calc R . .
H12D H -0.0606 0.2997 -0.4002 0.098 Uiso 1 1 calc R . .
C123 C 0.1159(17) 0.4279(16) -0.1357(13) 0.051(5) Uani 1 1 d . . .
H12E H 0.1025 0.4140 -0.0679 0.077 Uiso 1 1 calc R . .
H12F H 0.1192 0.5215 -0.1236 0.077 Uiso 1 1 calc R . .
H12G H 0.2054 0.4092 -0.1535 0.077 Uiso 1 1 calc R . .
C261 C -0.5142(16) 0.1793(14) -0.1716(12) 0.037(4) Uani 1 1 d . . .
H26A H -0.4803 0.0977 -0.1784 0.044 Uiso 1 1 calc R . .
C262 C -0.5615(18) 0.2294(16) -0.0614(12) 0.050(5) Uani 1 1 d . . .
H26B H -0.6411 0.1596 -0.0616 0.075 Uiso 1 1 calc R . .
H26C H -0.5922 0.3113 -0.0521 0.075 Uiso 1 1 calc R . .
H26D H -0.4819 0.2497 0.0002 0.075 Uiso 1 1 calc R . .
C263 C -0.6391(15) 0.1388(15) -0.2696(12) 0.037(4) Uani 1 1 d . . .
H26E H -0.7134 0.0641 -0.2706 0.055 Uiso 1 1 calc R . .
H26F H -0.6060 0.1104 -0.3396 0.055 Uiso 1 1 calc R . .
H26G H -0.6780 0.2160 -0.2616 0.055 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'
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'
Bi Bi -4.1077 10.2566 '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
O2 Bi1 O1 89.7(4) . 2_454
O2 Bi1 N1 93.5(4) . .
O1 Bi1 N1 92.6(4) 2_454 .
O1 Si1 O2 112.6(6) . .
O1 Si1 N2 106.9(5) . .
O2 Si1 N2 110.6(5) . .
O1 Si1 C10 109.3(6) . .
O2 Si1 C10 107.8(6) . .
N2 Si1 C10 109.5(6) . .
N2 Si2 C18 113.9(7) . .
N2 Si2 C17 110.9(6) . .
C18 Si2 C17 106.7(9) . .
N2 Si2 C19 109.2(7) . .
C18 Si2 C19 107.8(9) . .
C17 Si2 C19 108.2(8) . .
Si1 O1 Bi1 135.2(5) . 2_454
Si1 O2 Bi1 134.9(5) . .
C1 N1 C3 105(3) . .
C1 N1 C1A 17(2) . .
C3 N1 C1A 121(3) . .
C1 N1 C3A 112(3) . .
C3 N1 C3A 16(3) . .
C1A N1 C3A 125(3) . .
C1 N1 Bi1 125(2) . .
C3 N1 Bi1 122(2) . .
C1A N1 Bi1 113.9(15) . .
C3A N1 Bi1 122(2) . .
C11 N2 Si1 117.0(9) . .
C11 N2 Si2 120.1(8) . .
Si1 N2 Si2 122.7(6) . .
N1 C1 C2 114(3) . .
N1 C1 H1B 108.6 . .
C2 C1 H1B 108.6 . .
N1 C1 H1C 108.6 . .
C2 C1 H1C 108.6 . .
H1B C1 H1C 107.6 . .
C1 C2 H2A 109.5 . .
C1 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
C1 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
N1 C1A C2A 113(2) . .
N1 C1A H1AA 108.9 . .
C2A C1A H1AA 108.9 . .
N1 C1A H1AB 108.9 . .
C2A C1A H1AB 108.9 . .
H1AA C1A H1AB 107.7 . .
Si1 C10 H10A 109.5 . .
Si1 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
Si1 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
N1 C3 C4 103(3) . .
N1 C3 H3A 111.1 . .
C4 C3 H3A 111.1 . .
N1 C3 H3B 111.1 . .
C4 C3 H3B 111.2 . .
H3A C3 H3B 109.1 . .
C3 C4 H4A 109.5 . .
C3 C4 H4B 109.4 . .
H4A C4 H4B 109.5 . .
C3 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
N1 C3A C4A 120(3) . .
N1 C3A H3AA 107.2 . .
C4A C3A H3AA 107.2 . .
N1 C3A H3AB 107.2 . .
C4A C3A H3AB 107.2 . .
H3AA C3A H3AB 106.8 . .
C12 C11 C16 120.0(13) . .
C12 C11 N2 119.5(11) . .
C16 C11 N2 120.4(12) . .
C13 C12 C11 118.4(12) . .
C13 C12 C121 120.0(12) . .
C11 C12 C121 121.6(12) . .
C14 C13 C12 121.2(13) . .
C14 C13 H13A 119.4 . .
C12 C13 H13A 119.4 . .
C13 C14 C15 119.8(14) . .
C13 C14 H14A 120.1 . .
C15 C14 H14A 120.1 . .
C16 C15 C14 122.9(13) . .
C16 C15 H15A 118.5 . .
C14 C15 H15A 118.5 . .
C15 C16 C11 117.5(13) . .
C15 C16 C261 120.7(12) . .
C11 C16 C261 121.8(13) . .
Si2 C17 H17A 109.5 . .
Si2 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
Si2 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
Si2 C18 H18A 109.5 . .
Si2 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
Si2 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
Si2 C19 H19A 109.5 . .
Si2 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
Si2 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C123 C121 C12 111.9(12) . .
C123 C121 C122 107.5(13) . .
C12 C121 C122 110.9(14) . .
C123 C121 H12A 108.8 . .
C12 C121 H12A 108.8 . .
C122 C121 H12A 108.8 . .
C121 C122 H12B 109.5 . .
C121 C122 H12C 109.5 . .
H12B C122 H12C 109.5 . .
C121 C122 H12D 109.5 . .
H12B C122 H12D 109.5 . .
H12C C122 H12D 109.5 . .
C121 C123 H12E 109.5 . .
C121 C123 H12F 109.5 . .
H12E C123 H12F 109.5 . .
C121 C123 H12G 109.5 . .
H12E C123 H12G 109.5 . .
H12F C123 H12G 109.5 . .
C262 C261 C263 110.5(12) . .
C262 C261 C16 111.8(12) . .
C263 C261 C16 109.6(13) . .
C262 C261 H26A 108.3 . .
C263 C261 H26A 108.3 . .
C16 C261 H26A 108.3 . .
C261 C262 H26B 109.5 . .
C261 C262 H26C 109.5 . .
H26B C262 H26C 109.5 . .
C261 C262 H26D 109.5 . .
H26B C262 H26D 109.5 . .
H26C C262 H26D 109.5 . .
C261 C263 H26E 109.5 . .
C261 C263 H26F 109.5 . .
H26E C263 H26F 109.5 . .
C261 C263 H26G 109.5 . .
H26E C263 H26G 109.5 . .
H26F C263 H26G 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Bi1 O2 2.051(9) .
Bi1 O1 2.075(9) 2_454
Bi1 N1 2.089(11) .
Si1 O1 1.629(9) .
Si1 O2 1.650(10) .
Si1 N2 1.745(10) .
Si1 C10 1.862(13) .
Si2 N2 1.771(12) .
Si2 C18 1.832(18) .
Si2 C17 1.864(15) .
Si2 C19 1.875(15) .
O1 Bi1 2.075(9) 2_454
N1 C1 1.438(19) .
N1 C3 1.449(18) .
N1 C1A 1.459(17) .
N1 C3A 1.461(18) .
N2 C11 1.451(16) .
C1 C2 1.549(19) .
C1 H1B 0.9900 .
C1 H1C 0.9900 .
C2 H2A 0.9800 .
C2 H2B 0.9800 .
C2 H2C 0.9800 .
C1A C2A 1.542(18) .
C1A H1AA 0.9900 .
C1A H1AB 0.9900 .
C2A H2AA 0.9800 .
C2A H2AB 0.9800 .
C2A H2AC 0.9800 .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C3 C4 1.541(19) .
C3 H3A 0.9900 .
C3 H3B 0.9900 .
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C3A C4A 1.548(19) .
C3A H3AA 0.9900 .
C3A H3AB 0.9900 .
C4A H4AA 0.9800 .
C4A H4AB 0.9800 .
C4A H4AC 0.9800 .
C11 C12 1.427(18) .
C11 C16 1.427(18) .
C12 C13 1.384(18) .
C12 C121 1.530(19) .
C13 C14 1.372(19) .
C13 H13A 0.9500 .
C14 C15 1.373(19) .
C14 H14A 0.9500 .
C15 C16 1.366(18) .
C15 H15A 0.9500 .
C16 C261 1.542(18) .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C121 C123 1.53(2) .
C121 C122 1.54(2) .
C121 H12A 1.0000 .
C122 H12B 0.9800 .
C122 H12C 0.9800 .
C122 H12D 0.9800 .
C123 H12E 0.9800 .
C123 H12F 0.9800 .
C123 H12G 0.9800 .
C261 C262 1.523(17) .
C261 C263 1.53(2) .
C261 H26A 1.0000 .
C262 H26B 0.9800 .
C262 H26C 0.9800 .
C262 H26D 0.9800 .
C263 H26E 0.9800 .
C263 H26F 0.9800 .
C263 H26G 0.9800 .
