#------------------------------------------------------------------------------
#$Date: 2016-03-21 09:08:49 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178618 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/29/4072985.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_4072985
loop_
_publ_author_name
'Poverenov, Elena'
'Shimon, Linda J. W.'
'Milstein, David'
_publ_section_title
;
 Quinone Methide Generation Based on acis-(N,N) Platinum Complex
;
_journal_issue                   9
_journal_name_full               Organometallics
_journal_page_first              2178
_journal_paper_doi               10.1021/om061178i
_journal_volume                  26
_journal_year                    2007
_chemical_formula_sum            'C35 H43 Br N2 O Pt Si'
_chemical_formula_weight         810.80
_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                95.03(3)
_cell_angle_beta                 105.03(3)
_cell_angle_gamma                91.20(3)
_cell_formula_units_Z            2
_cell_length_a                   10.598(2)
_cell_length_b                   12.904(3)
_cell_length_c                   13.385(3)
_cell_measurement_reflns_used    7727
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.55
_cell_volume                     1759.2(7)
_computing_cell_refinement       HKL
_computing_data_collection       'Collect package (Bruker Nonius)'
_computing_data_reduction        HKL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'phi and omega 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  0.0470
_diffrn_reflns_av_sigmaI/netI    0.0258
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            7996
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.60
_exptl_absorpt_coefficient_mu    5.185
_exptl_absorpt_correction_T_max  0.4236
_exptl_absorpt_correction_T_min  0.2308
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.531
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             804
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.348
_refine_diff_density_min         -1.410
_refine_diff_density_rms         0.123
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         7996
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.068
_refine_ls_R_factor_all          0.0296
_refine_ls_R_factor_gt           0.0264
_refine_ls_shift/su_max          0.150
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0417P)²+2.4724P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0685
_refine_ls_wR_factor_ref         0.0702
_reflns_number_gt                7414
_reflns_number_total             7996
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om061178isi20061226_120134.cif
_cod_data_source_block           m645a
_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4072985
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
Pt5 Pt 0.719367(10) -0.078505(8) 0.305739(8) 0.01472(5) Uani 1 1 d .
Br7 Br 0.73102(3) -0.12734(3) 0.49227(3) 0.02527(8) Uani 1 1 d .
C1 C 0.6581(3) -0.2285(2) 0.2468(3) 0.0189(6) Uani 1 1 d .
C2 C 0.9066(3) -0.1254(3) 0.3200(3) 0.0233(7) Uani 1 1 d .
N3 N 0.5296(2) -0.0178(2) 0.30156(19) 0.0132(5) Uani 1 1 d .
C4 C 0.5319(3) 0.0744(2) 0.3471(2) 0.0165(6) Uani 1 1 d .
H4A H 0.4962 0.0689 0.4079 0.020 Uiso 1 1 calc R
H4B H 0.4709 0.1157 0.2987 0.020 Uiso 1 1 calc R
C5 C 0.6566(3) 0.1344(2) 0.3833(2) 0.0163(6) Uani 1 1 d .
C6 C 0.6649(4) 0.2368(3) 0.4252(2) 0.0234(7) Uani 1 1 d .
H6 H 0.5891 0.2704 0.4340 0.028 Uiso 1 1 calc R
C7 C 0.7862(4) 0.2898(3) 0.4541(3) 0.0268(7) Uani 1 1 d .
H7 H 0.7942 0.3607 0.4817 0.032 Uiso 1 1 calc R
C8 C 0.8943(4) 0.2385(3) 0.4424(3) 0.0263(7) Uani 1 1 d .
H8 H 0.9780 0.2736 0.4623 0.032 Uiso 1 1 calc R
C9 C 0.8807(3) 0.1346(3) 0.4010(2) 0.0214(7) Uani 1 1 d .
H9 H 0.9562 0.0996 0.3933 0.026 Uiso 1 1 calc R
N10 N 0.7641(3) 0.0826(2) 0.37176(19) 0.0161(5) Uani 1 1 d .
C11 C 0.7099(3) -0.0474(2) 0.1524(2) 0.0166(6) Uani 1 1 d .
C12 C 0.7593(3) 0.0600(2) 0.1464(2) 0.0139(6) Uani 1 1 d .
C13 C 0.6770(3) 0.1428(2) 0.1340(2) 0.0155(6) Uani 1 1 d .
H13 H 0.5867 0.1292 0.1275 0.019 Uiso 1 1 calc R
C14 C 0.7198(3) 0.2449(2) 0.1306(2) 0.0158(6) Uani 1 1 d .
C15 C 0.8553(3) 0.2648(2) 0.1435(2) 0.0140(6) Uani 1 1 d .
C16 C 0.9414(3) 0.1814(2) 0.1492(2) 0.0144(6) Uani 1 1 d .
C17 C 0.8911(3) 0.0814(2) 0.1520(2) 0.0152(6) Uani 1 1 d .
H17 H 0.9485 0.0254 0.1579 0.018 Uiso 1 1 calc R
C18 C 0.6178(3) 0.3303(2) 0.1081(3) 0.0187(6) Uani 1 1 d .
C19 C 0.4760(3) 0.2848(3) 0.0850(3) 0.0286(8) Uani 1 1 d .
H19A H 0.4636 0.2539 0.1463 0.043 Uiso 1 1 calc R
H19B H 0.4598 0.2311 0.0260 0.043 Uiso 1 1 calc R
H19C H 0.4149 0.3405 0.0680 0.043 Uiso 1 1 calc R
C20 C 0.6355(3) 0.4094(3) 0.2034(3) 0.0242(7) Uani 1 1 d .
H20A H 0.7274 0.4341 0.2279 0.036 Uiso 1 1 calc R
H20B H 0.6099 0.3763 0.2587 0.036 Uiso 1 1 calc R
H20C H 0.5806 0.4685 0.1846 0.036 Uiso 1 1 calc R
C21 C 0.6270(3) 0.3805(3) 0.0095(3) 0.0248(7) Uani 1 1 d .
H21A H 0.5702 0.4398 0.0000 0.037 Uiso 1 1 calc R
H21B H 0.5990 0.3291 -0.0512 0.037 Uiso 1 1 calc R
H21C H 0.7176 0.4046 0.0170 0.037 Uiso 1 1 calc R
O22 O 0.9017(2) 0.36414(17) 0.13682(17) 0.0177(4) Uani 1 1 d .
Si23 Si 0.96319(9) 0.47969(7) 0.19269(7) 0.02117(18) Uani 1 1 d .
C24 C 0.9915(4) 0.4893(3) 0.3366(3) 0.0369(9) Uani 1 1 d .
H24A H 0.9111 0.4676 0.3538 0.055 Uiso 1 1 calc R
H24B H 1.0166 0.5615 0.3655 0.055 Uiso 1 1 calc R
H24C H 1.0618 0.4439 0.3663 0.055 Uiso 1 1 calc R
C25 C 1.1181(3) 0.5093(3) 0.1570(3) 0.0291(8) Uani 1 1 d .
H25A H 1.1760 0.4512 0.1711 0.044 Uiso 1 1 calc R
H25B H 1.1614 0.5729 0.1982 0.044 Uiso 1 1 calc R
H25C H 1.0981 0.5196 0.0829 0.044 Uiso 1 1 calc R
C26 C 0.8519(4) 0.5824(3) 0.1388(3) 0.0302(8) Uani 1 1 d .
H26A H 0.8315 0.5739 0.0627 0.045 Uiso 1 1 calc R
H26B H 0.8947 0.6512 0.1646 0.045 Uiso 1 1 calc R
H26C H 0.7709 0.5763 0.1606 0.045 Uiso 1 1 calc R
C27 C 1.0868(3) 0.1954(2) 0.1487(2) 0.0170(6) Uani 1 1 d .
C28 C 1.1539(3) 0.0914(3) 0.1447(3) 0.0271(8) Uani 1 1 d .
H28A H 1.1047 0.0458 0.0841 0.041 Uiso 1 1 calc R
H28B H 1.1564 0.0580 0.2081 0.041 Uiso 1 1 calc R
H28C H 1.2433 0.1041 0.1394 0.041 Uiso 1 1 calc R
C29 C 1.1641(3) 0.2593(3) 0.2497(3) 0.0256(7) Uani 1 1 d .
H29A H 1.2538 0.2737 0.2460 0.038 Uiso 1 1 calc R
H29B H 1.1656 0.2196 0.3091 0.038 Uiso 1 1 calc R
H29C H 1.1219 0.3251 0.2582 0.038 Uiso 1 1 calc R
C30 C 1.0963(3) 0.2454(3) 0.0506(3) 0.0197(6) Uani 1 1 d .
H30A H 1.0511 0.3110 0.0470 0.030 Uiso 1 1 calc R
H30B H 1.0553 0.1978 -0.0111 0.030 Uiso 1 1 calc R
H30C H 1.1884 0.2591 0.0532 0.030 Uiso 1 1 calc R
C31 C 0.4078(3) -0.0778(2) 0.2696(2) 0.0141(6) Uani 1 1 d .
C32 C 0.3591(3) -0.1147(3) 0.1658(3) 0.0217(7) Uani 1 1 d .
H32 H 0.4062 -0.1013 0.1165 0.026 Uiso 1 1 calc R
C33 C 0.2402(3) -0.1717(3) 0.1349(3) 0.0252(7) Uani 1 1 d .
H33 H 0.2043 -0.1954 0.0637 0.030 Uiso 1 1 calc R
C34 C 0.1746(3) -0.1938(3) 0.2071(3) 0.0249(7) Uani 1 1 d .
H34 H 0.0944 -0.2340 0.1859 0.030 Uiso 1 1 calc R
C35 C 0.2249(3) -0.1576(3) 0.3107(3) 0.0277(8) Uani 1 1 d .
H35 H 0.1788 -0.1727 0.3603 0.033 Uiso 1 1 calc R
C36 C 0.3423(3) -0.0992(3) 0.3426(3) 0.0238(7) Uani 1 1 d .
H36 H 0.3771 -0.0743 0.4136 0.029 Uiso 1 1 calc R
C107 C 0.4042(7) 0.4882(6) 0.4110(5) 0.080(2) Uani 1 1 d .
H107 H 0.3366 0.4808 0.3481 0.096 Uiso 1 1 calc R
C108 C 0.4045(6) 0.4251(4) 0.4829(6) 0.0661(18) Uani 1 1 d .
H108 H 0.3378 0.3717 0.4711 0.079 Uiso 1 1 calc R
C109 C 0.5011(9) 0.5646(5) 0.4263(5) 0.079(2) Uani 1 1 d .
H109 H 0.5019 0.6096 0.3739 0.095 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
Br Br -0.2901 2.4595 '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'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 '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'
H H 0.0000 0.0000 '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
C1 Pt5 C2 86.82(14) . .
C1 Pt5 C11 87.03(13) . .
C2 Pt5 C11 88.76(13) . .
C1 Pt5 N3 97.95(12) . .
C2 Pt5 N3 174.80(11) . .
C11 Pt5 N3 93.53(11) . .
C1 Pt5 N10 173.88(11) . .
C2 Pt5 N10 98.94(13) . .
C11 Pt5 N10 95.12(11) . .
N3 Pt5 N10 76.22(10) . .
C1 Pt5 Br7 90.10(10) . .
C2 Pt5 Br7 90.18(11) . .
C11 Pt5 Br7 176.99(8) . .
N3 Pt5 Br7 87.76(7) . .
N10 Pt5 Br7 87.83(7) . .
C4 N3 C31 118.8(3) . .
C4 N3 Pt5 115.1(2) . .
C31 N3 Pt5 125.12(19) . .
N3 C4 C5 119.0(3) . .
N3 C4 H4A 107.6 . .
C5 C4 H4A 107.6 . .
N3 C4 H4B 107.6 . .
C5 C4 H4B 107.6 . .
H4A C4 H4B 107.0 . .
N10 C5 C6 122.3(3) . .
N10 C5 C4 115.5(3) . .
C6 C5 C4 122.2(3) . .
C5 C6 C7 118.8(3) . .
C5 C6 H6 120.6 . .
C7 C6 H6 120.6 . .
C8 C7 C6 119.2(3) . .
C8 C7 H7 120.4 . .
C6 C7 H7 120.4 . .
C7 C8 C9 119.7(3) . .
C7 C8 H8 120.2 . .
C9 C8 H8 120.2 . .
N10 C9 C8 121.8(3) . .
N10 C9 H9 119.1 . .
C8 C9 H9 119.1 . .
C9 N10 C5 118.2(3) . .
C9 N10 Pt5 128.3(2) . .
C5 N10 Pt5 113.5(2) . .
C12 C11 Pt5 112.5(2) . .
C13 C12 C17 117.2(3) . .
C13 C12 C11 121.7(3) . .
C17 C12 C11 121.1(3) . .
C12 C13 C14 123.5(3) . .
C12 C13 H13 118.2 . .
C14 C13 H13 118.2 . .
C13 C14 C15 117.7(3) . .
C13 C14 C18 119.2(3) . .
C15 C14 C18 123.0(3) . .
O22 C15 C14 119.8(3) . .
O22 C15 C16 119.1(3) . .
C14 C15 C16 120.5(3) . .
C17 C16 C15 118.0(3) . .
C17 C16 C27 118.5(3) . .
C15 C16 C27 123.4(3) . .
C16 C17 C12 122.7(3) . .
C16 C17 H17 118.6 . .
C12 C17 H17 118.6 . .
C20 C18 C21 113.1(3) . .
C20 C18 C19 105.6(3) . .
C21 C18 C19 105.9(3) . .
C20 C18 C14 110.5(3) . .
C21 C18 C14 109.5(2) . .
C19 C18 C14 112.1(3) . .
C18 C19 H19A 109.5 . .
C18 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C18 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C18 C20 H20A 109.5 . .
C18 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C18 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C18 C21 H21A 109.5 . .
C18 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C18 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C15 O22 Si23 150.3(2) . .
O22 Si23 C26 109.93(16) . .
O22 Si23 C24 112.32(17) . .
C26 Si23 C24 109.47(19) . .
O22 Si23 C25 109.47(15) . .
C26 Si23 C25 104.66(17) . .
C24 Si23 C25 110.71(19) . .
Si23 C24 H24A 109.5 . .
Si23 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
Si23 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
Si23 C25 H25A 109.5 . .
Si23 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
Si23 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
Si23 C26 H26A 109.5 . .
Si23 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
Si23 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C28 C27 C30 105.7(3) . .
C28 C27 C29 106.2(3) . .
C30 C27 C29 112.6(3) . .
C28 C27 C16 112.6(3) . .
C30 C27 C16 109.8(2) . .
C29 C27 C16 109.9(3) . .
C27 C28 H28A 109.5 . .
C27 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C27 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C27 C29 H29A 109.5 . .
C27 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
C27 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
C27 C30 H30A 109.5 . .
C27 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
C27 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
C36 C31 C32 121.1(3) . .
C36 C31 N3 119.6(3) . .
C32 C31 N3 119.3(3) . .
C31 C32 C33 119.1(3) . .
C31 C32 H32 120.4 . .
C33 C32 H32 120.4 . .
C34 C33 C32 120.2(3) . .
C34 C33 H33 119.9 . .
C32 C33 H33 119.9 . .
C33 C34 C35 120.2(3) . .
C33 C34 H34 119.9 . .
C35 C34 H34 119.9 . .
C34 C35 C36 120.3(3) . .
C34 C35 H35 119.8 . .
C36 C35 H35 119.8 . .
C31 C36 C35 119.0(3) . .
C31 C36 H36 120.5 . .
C35 C36 H36 120.5 . .
C108 C107 C109 120.3(6) . .
C108 C107 H107 119.8 . .
C109 C107 H107 119.8 . .
C107 C108 C109 120.7(6) . 2_666
C107 C108 H108 119.7 . .
C109 C108 H108 119.7 2_666 .
C108 C109 C107 119.0(6) 2_666 .
C108 C109 H109 120.5 2_666 .
C107 C109 H109 120.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt5 C1 2.051(3) .
Pt5 C2 2.053(3) .
Pt5 C11 2.103(3) .
Pt5 N3 2.163(2) .
Pt5 N10 2.178(3) .
Pt5 Br7 2.6010(7) .
N3 C4 1.286(4) .
N3 C31 1.435(4) .
C4 C5 1.462(4) .
C4 H4A 0.9900 .
C4 H4B 0.9900 .
C5 N10 1.369(4) .
C5 C6 1.382(5) .
C6 C7 1.388(5) .
C6 H6 0.9500 .
C7 C8 1.372(5) .
C7 H7 0.9500 .
C8 C9 1.396(5) .
C8 H8 0.9500 .
C9 N10 1.341(4) .
C9 H9 0.9500 .
C11 C12 1.487(4) .
C12 C13 1.388(4) .
C12 C17 1.400(4) .
C13 C14 1.392(4) .
C13 H13 0.9500 .
C14 C15 1.416(4) .
C14 C18 1.553(4) .
C15 O22 1.382(4) .
C15 C16 1.420(4) .
C16 C17 1.393(4) .
C16 C27 1.549(4) .
C17 H17 0.9500 .
C18 C20 1.532(5) .
C18 C21 1.545(5) .
C18 C19 1.545(5) .
C19 H19A 0.9800 .
C19 H19B 0.9800 .
C19 H19C 0.9800 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
O22 Si23 1.649(2) .
Si23 C26 1.860(4) .
Si23 C24 1.864(4) .
Si23 C25 1.866(4) .
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 C28 1.535(4) .
C27 C30 1.539(4) .
C27 C29 1.542(5) .
C28 H28A 0.9800 .
C28 H28B 0.9800 .
C28 H28C 0.9800 .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
C31 C36 1.380(4) .
C31 C32 1.388(4) .
C32 C33 1.392(5) .
C32 H32 0.9500 .
C33 C34 1.374(5) .
C33 H33 0.9500 .
C34 C35 1.385(5) .
C34 H34 0.9500 .
C35 C36 1.388(5) .
C35 H35 0.9500 .
C36 H36 0.9500 .
C107 C108 1.313(10) .
C107 C109 1.372(10) .
C107 H107 0.9500 .
C108 C109 1.353(10) 2_666
C108 H108 0.9500 .
C109 C108 1.353(10) 2_666
C109 H109 0.9500 .
