#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:49:18 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179991 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/85/7028599.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_7028599
loop_
_publ_author_name
'Naik, Susmita'
'Kumaravel, Maruthai'
'Mague, Joel T.'
'Balakrishna, Maravanji S.'
_publ_section_title
;
 Bisamino(diphosphonite) with dangling olefin functionalities: synthesis,
 metal chemistry and catalytic utility of Rh(I) and Pd(II) complexes in
 hydroformylation and Suzuki-Miyaura reactions.
;
_journal_issue                   3
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1082
_journal_page_last               1095
_journal_paper_doi               10.1039/c3dt52400k
_journal_volume                  43
_journal_year                    2014
_chemical_formula_moiety         'C78 H76 Au4 Cl4 N2 O8 P4'
_chemical_formula_sum            'C78 H76 Au4 Cl4 N2 O8 P4'
_chemical_formula_weight         2222.95
_chemical_name_systematic
; 
 μ-{1,4-bis[bis(bis(2-(3-propenyl)phenoxy)phosphino)amino]benzene}
tetrakis(chlorogold(I))
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     Patterson
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 102.948(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   14.1051(8)
_cell_length_b                   15.3140(8)
_cell_length_c                   18.5847(10)
_cell_measurement_reflns_used    9994
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.14
_cell_measurement_theta_min      2.25
_cell_volume                     3912.3(4)
_computing_cell_refinement       'Bruker SAINT (Bruker-AXS 2009a)'
_computing_data_collection       'Bruker APEX2 (Bruker-AXS, 2009)'
_computing_data_reduction        'Bruker SAINT (Bruker-AXS 2009a)'
_computing_molecular_graphics    'Bruker SHELXTL(Bruker-AXS 2008)'
_computing_publication_material  'Bruker SHELXTL(Bruker-AXS 2008)'
_computing_structure_refinement  'SHELXL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-I CCD'
_diffrn_measurement_method       'φ and 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  0.0409
_diffrn_reflns_av_sigmaI/netI    0.0252
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            68946
_diffrn_reflns_theta_full        28.50
_diffrn_reflns_theta_max         28.50
_diffrn_reflns_theta_min         1.99
_exptl_absorpt_coefficient_mu    7.750
_exptl_absorpt_correction_T_max  0.5326
_exptl_absorpt_correction_T_min  0.3914
_exptl_absorpt_correction_type   'integration numerical Gaussian'
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008a)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.887
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             2132
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.694
_refine_diff_density_min         -0.489
_refine_diff_density_rms         0.106
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     451
_refine_ls_number_reflns         9896
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0243
_refine_ls_R_factor_gt           0.0187
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0133P)²+3.0146P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0375
_refine_ls_wR_factor_ref         0.0393
_reflns_number_gt                8796
_reflns_number_total             9896
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt52400k.txt
_cod_data_source_block           msb427_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/automatic-downloads/current/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7028599
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Au1 Au 0.912570(7) 0.725961(6) 0.240663(5) 0.01283(3) Uani 1 1 d .
Au2 Au 0.702538(7) 0.697388(6) 0.277162(5) 0.01376(3) Uani 1 1 d .
Cl1 Cl 0.87994(5) 0.74591(5) 0.11666(3) 0.02445(15) Uani 1 1 d .
Cl2 Cl 0.60378(5) 0.80520(5) 0.21902(4) 0.02784(16) Uani 1 1 d .
P1 P 0.95710(5) 0.69398(4) 0.35872(3) 0.01113(12) Uani 1 1 d .
P2 P 0.78438(5) 0.58603(4) 0.33488(3) 0.01167(12) Uani 1 1 d .
O1 O 1.06809(12) 0.66859(11) 0.38848(9) 0.0131(3) Uani 1 1 d .
O2 O 0.94507(13) 0.76608(11) 0.41737(9) 0.0138(4) Uani 1 1 d .
O3 O 0.80414(12) 0.50528(11) 0.28567(9) 0.0153(4) Uani 1 1 d .
O4 O 0.73296(12) 0.53877(11) 0.39256(9) 0.0132(3) Uani 1 1 d .
N1 N 0.89787(15) 0.60728(13) 0.38361(10) 0.0123(4) Uani 1 1 d .
C1 C 1.11612(17) 0.59638(16) 0.36562(13) 0.0130(5) Uani 1 1 d .
C2 C 1.20601(18) 0.57694(16) 0.41135(13) 0.0148(5) Uani 1 1 d .
C3 C 1.25530(19) 0.50509(17) 0.39174(15) 0.0195(5) Uani 1 1 d .
H3 H 1.3171 0.4900 0.4215 0.023 Uiso 1 1 calc R
C4 C 1.2165(2) 0.45483(17) 0.32978(15) 0.0209(6) Uani 1 1 d .
H4 H 1.2513 0.4059 0.3178 0.025 Uiso 1 1 calc R
C5 C 1.1271(2) 0.47647(17) 0.28586(14) 0.0196(6) Uani 1 1 d .
H5 H 1.1007 0.4426 0.2432 0.024 Uiso 1 1 calc R
C6 C 1.07557(19) 0.54763(17) 0.30374(13) 0.0169(5) Uani 1 1 d .
H6 H 1.0137 0.5625 0.2740 0.020 Uiso 1 1 calc R
C7 C 1.24711(18) 0.63043(17) 0.47942(14) 0.0171(5) Uani 1 1 d .
H7A H 1.1964 0.6372 0.5082 0.021 Uiso 1 1 calc R
H7B H 1.3022 0.5981 0.5105 0.021 Uiso 1 1 calc R
C8 C 1.2819(2) 0.71947(18) 0.46321(16) 0.0222(6) Uani 1 1 d .
H8 H 1.3197 0.7235 0.4270 0.027 Uiso 1 1 calc R
C9 C 1.2641(2) 0.7921(2) 0.49515(18) 0.0327(7) Uani 1 1 d .
H9A H 1.2266 0.7908 0.5317 0.039 Uiso 1 1 calc R
H9B H 1.2888 0.8460 0.4818 0.039 Uiso 1 1 calc R
C10 C 0.96431(18) 0.85592(15) 0.40700(13) 0.0134(5) Uani 1 1 d .
C11 C 0.89376(18) 0.91431(16) 0.41798(13) 0.0148(5) Uani 1 1 d .
C12 C 0.9144(2) 1.00263(17) 0.41184(14) 0.0187(5) Uani 1 1 d .
H12 H 0.8683 1.0450 0.4192 0.022 Uiso 1 1 calc R
C13 C 1.0003(2) 1.03011(18) 0.39529(14) 0.0220(6) Uani 1 1 d .
H13 H 1.0130 1.0907 0.3920 0.026 Uiso 1 1 calc R
C14 C 1.0679(2) 0.96958(18) 0.38347(15) 0.0221(6) Uani 1 1 d .
H14 H 1.1263 0.9885 0.3711 0.027 Uiso 1 1 calc R
C15 C 1.05024(19) 0.88095(18) 0.38969(14) 0.0195(5) Uani 1 1 d .
H15 H 1.0964 0.8387 0.3822 0.023 Uiso 1 1 calc R
C16 C 0.80000(19) 0.88163(17) 0.43501(15) 0.0200(5) Uani 1 1 d .
H16A H 0.7638 0.8481 0.3920 0.024 Uiso 1 1 calc R
H16B H 0.8160 0.8411 0.4775 0.024 Uiso 1 1 calc R
C17 C 0.7353(2) 0.9521(2) 0.45250(17) 0.0284(7) Uani 1 1 d .
H17 H 0.7561 0.9820 0.4981 0.034 Uiso 1 1 calc R
C18 C 0.6533(2) 0.9755(2) 0.41058(19) 0.0386(8) Uani 1 1 d .
H18A H 0.6299 0.9471 0.3646 0.046 Uiso 1 1 calc R
H18B H 0.6165 1.0210 0.4258 0.046 Uiso 1 1 calc R
C19 C 0.72708(18) 0.47097(17) 0.22997(13) 0.0162(5) Uani 1 1 d .
C20 C 0.6908(2) 0.38908(18) 0.24114(15) 0.0228(6) Uani 1 1 d .
C21 C 0.6179(2) 0.3567(2) 0.18402(17) 0.0308(7) Uani 1 1 d .
H21 H 0.5909 0.3009 0.1895 0.037 Uiso 1 1 calc R
C22 C 0.5834(2) 0.4031(2) 0.11971(17) 0.0323(7) Uani 1 1 d .
H22 H 0.5337 0.3791 0.0818 0.039 Uiso 1 1 calc R
C23 C 0.6216(2) 0.4843(2) 0.11074(15) 0.0272(7) Uani 1 1 d .
H23 H 0.5976 0.5166 0.0668 0.033 Uiso 1 1 calc R
C24 C 0.69503(19) 0.51876(18) 0.16598(14) 0.0194(5) Uani 1 1 d .
H24 H 0.7227 0.5741 0.1599 0.023 Uiso 1 1 calc R
C25 C 0.7283(2) 0.33501(19) 0.30978(16) 0.0295(7) Uani 1 1 d .
H25A H 0.7537 0.3745 0.3519 0.035 Uiso 1 1 calc R
H25B H 0.6739 0.3012 0.3214 0.035 Uiso 1 1 calc R
C26 C 0.8063(3) 0.2742(3) 0.3006(2) 0.0460(10) Uani 1 1 d .
H26 H 0.8661 0.2985 0.2947 0.055 Uiso 1 1 calc R
C27 C 0.7985(4) 0.1890(3) 0.3002(2) 0.0768(17) Uani 1 1 d .
H27A H 0.7398 0.1625 0.3060 0.092 Uiso 1 1 calc R
H27B H 0.8515 0.1537 0.2941 0.092 Uiso 1 1 calc R
C28 C 0.67124(18) 0.58690(16) 0.42832(13) 0.0134(5) Uani 1 1 d .
C29 C 0.57465(18) 0.56089(17) 0.41650(14) 0.0163(5) Uani 1 1 d .
C30 C 0.5162(2) 0.60670(18) 0.45476(16) 0.0235(6) Uani 1 1 d .
H30 H 0.4498 0.5906 0.4483 0.028 Uiso 1 1 calc R
C31 C 0.5520(2) 0.67491(19) 0.50187(16) 0.0251(6) Uani 1 1 d .
H31 H 0.5101 0.7052 0.5269 0.030 Uiso 1 1 calc R
C32 C 0.6488(2) 0.69906(18) 0.51250(15) 0.0223(6) Uani 1 1 d .
H32 H 0.6737 0.7456 0.5450 0.027 Uiso 1 1 calc R
C33 C 0.70917(19) 0.65463(17) 0.47525(14) 0.0174(5) Uani 1 1 d .
H33 H 0.7757 0.6706 0.4819 0.021 Uiso 1 1 calc R
C34 C 0.53387(19) 0.48881(17) 0.36296(14) 0.0191(5) Uani 1 1 d .
H34A H 0.5850 0.4442 0.3639 0.023 Uiso 1 1 calc R
H34B H 0.4794 0.4604 0.3795 0.023 Uiso 1 1 calc R
C35 C 0.4980(2) 0.52046(19) 0.28477(15) 0.0259(6) Uani 1 1 d .
H35 H 0.4831 0.4770 0.2474 0.031 Uiso 1 1 calc R
C36 C 0.4853(2) 0.6019(2) 0.26318(17) 0.0297(7) Uani 1 1 d .
H36A H 0.4992 0.6478 0.2984 0.036 Uiso 1 1 calc R
H36B H 0.4623 0.6151 0.2123 0.036 Uiso 1 1 calc R
C37 C 0.94798(17) 0.55133(16) 0.44375(13) 0.0130(5) Uani 1 1 d .
C38 C 0.97898(17) 0.58631(16) 0.51374(13) 0.0124(5) Uani 1 1 d .
H38 H 0.9648 0.6454 0.5229 0.015 Uiso 1 1 calc R
C39 C 1.03088(17) 0.53486(15) 0.57052(13) 0.0123(5) Uani 1 1 d .
H39 H 1.0518 0.5583 0.6188 0.015 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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 '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
P1 Au1 Cl1 172.83(2) . .
P1 Au1 Au2 80.196(17) . .
Cl1 Au1 Au2 104.248(19) . .
P2 Au2 Cl2 174.05(2) . .
P2 Au2 Au1 78.496(17) . .
Cl2 Au2 Au1 107.257(19) . .
O2 P1 O1 100.37(9) . .
O2 P1 N1 102.90(10) . .
O1 P1 N1 102.82(10) . .
O2 P1 Au1 118.69(7) . .
O1 P1 Au1 116.19(7) . .
N1 P1 Au1 113.62(7) . .
O4 P2 O3 101.37(9) . .
O4 P2 N1 104.28(9) . .
O3 P2 N1 100.97(10) . .
O4 P2 Au2 114.29(7) . .
O3 P2 Au2 117.41(7) . .
N1 P2 Au2 116.36(7) . .
C1 O1 P1 126.13(15) . .
C10 O2 P1 121.75(15) . .
C19 O3 P2 119.93(15) . .
C28 O4 P2 119.95(15) . .
C37 N1 P2 122.49(16) . .
C37 N1 P1 119.17(16) . .
P2 N1 P1 118.27(11) . .
C6 C1 C2 122.9(2) . .
C6 C1 O1 122.4(2) . .
C2 C1 O1 114.7(2) . .
C1 C2 C3 116.7(2) . .
C1 C2 C7 121.5(2) . .
C3 C2 C7 121.8(2) . .
C4 C3 C2 121.8(2) . .
C4 C3 H3 119.1 . .
C2 C3 H3 119.1 . .
C5 C4 C3 119.7(2) . .
C5 C4 H4 120.2 . .
C3 C4 H4 120.2 . .
C4 C5 C6 120.3(2) . .
C4 C5 H5 119.9 . .
C6 C5 H5 119.9 . .
C1 C6 C5 118.7(2) . .
C1 C6 H6 120.6 . .
C5 C6 H6 120.6 . .
C8 C7 C2 113.9(2) . .
C8 C7 H7A 108.8 . .
C2 C7 H7A 108.8 . .
C8 C7 H7B 108.8 . .
C2 C7 H7B 108.8 . .
H7A C7 H7B 107.7 . .
C9 C8 C7 125.1(3) . .
C9 C8 H8 117.4 . .
C7 C8 H8 117.4 . .
C8 C9 H9A 120.0 . .
C8 C9 H9B 120.0 . .
H9A C9 H9B 120.0 . .
C15 C10 C11 123.6(2) . .
C15 C10 O2 120.4(2) . .
C11 C10 O2 116.0(2) . .
C10 C11 C12 116.3(2) . .
C10 C11 C16 120.5(2) . .
C12 C11 C16 123.2(2) . .
C13 C12 C11 121.6(3) . .
C13 C12 H12 119.2 . .
C11 C12 H12 119.2 . .
C14 C13 C12 120.1(3) . .
C14 C13 H13 120.0 . .
C12 C13 H13 120.0 . .
C13 C14 C15 120.0(3) . .
C13 C14 H14 120.0 . .
C15 C14 H14 120.0 . .
C10 C15 C14 118.4(3) . .
C10 C15 H15 120.8 . .
C14 C15 H15 120.8 . .
C17 C16 C11 114.3(2) . .
C17 C16 H16A 108.7 . .
C11 C16 H16A 108.7 . .
C17 C16 H16B 108.7 . .
C11 C16 H16B 108.7 . .
H16A C16 H16B 107.6 . .
C18 C17 C16 125.2(3) . .
C18 C17 H17 117.4 . .
C16 C17 H17 117.4 . .
C17 C18 H18A 120.0 . .
C17 C18 H18B 120.0 . .
H18A C18 H18B 120.0 . .
C24 C19 C20 123.1(2) . .
C24 C19 O3 118.6(2) . .
C20 C19 O3 118.2(2) . .
C19 C20 C21 116.2(3) . .
C19 C20 C25 123.3(2) . .
C21 C20 C25 120.4(3) . .
C22 C21 C20 122.1(3) . .
C22 C21 H21 118.9 . .
C20 C21 H21 118.9 . .
C23 C22 C21 119.8(3) . .
C23 C22 H22 120.1 . .
C21 C22 H22 120.1 . .
C22 C23 C24 120.0(3) . .
C22 C23 H23 120.0 . .
C24 C23 H23 120.0 . .
C19 C24 C23 118.7(3) . .
C19 C24 H24 120.6 . .
C23 C24 H24 120.6 . .
C26 C25 C20 112.1(3) . .
C26 C25 H25A 109.2 . .
C20 C25 H25A 109.2 . .
C26 C25 H25B 109.2 . .
C20 C25 H25B 109.2 . .
H25A C25 H25B 107.9 . .
C27 C26 C25 124.3(4) . .
C27 C26 H26 117.8 . .
C25 C26 H26 117.8 . .
C26 C27 H27A 120.0 . .
C26 C27 H27B 120.0 . .
H27A C27 H27B 120.0 . .
C33 C28 C29 122.8(2) . .
C33 C28 O4 119.7(2) . .
C29 C28 O4 117.5(2) . .
C28 C29 C30 116.5(2) . .
C28 C29 C34 121.9(2) . .
C30 C29 C34 121.5(2) . .
C31 C30 C29 122.0(3) . .
C31 C30 H30 119.0 . .
C29 C30 H30 119.0 . .
C30 C31 C32 120.0(3) . .
C30 C31 H31 120.0 . .
C32 C31 H31 120.0 . .
C31 C32 C33 119.5(2) . .
C31 C32 H32 120.2 . .
C33 C32 H32 120.2 . .
C28 C33 C32 119.2(2) . .
C28 C33 H33 120.4 . .
C32 C33 H33 120.4 . .
C35 C34 C29 113.3(2) . .
C35 C34 H34A 108.9 . .
C29 C34 H34A 108.9 . .
C35 C34 H34B 108.9 . .
C29 C34 H34B 108.9 . .
H34A C34 H34B 107.7 . .
C36 C35 C34 126.5(3) . .
C36 C35 H35 116.8 . .
C34 C35 H35 116.8 . .
C35 C36 H36A 120.0 . .
C35 C36 H36B 120.0 . .
H36A C36 H36B 120.0 . .
C38 C37 C39 120.7(2) . 3_766
C38 C37 N1 119.3(2) . .
C39 C37 N1 119.9(2) 3_766 .
C37 C38 C39 119.8(2) . .
C37 C38 H38 120.1 . .
C39 C38 H38 120.1 . .
C38 C39 C37 119.5(2) . 3_766
C38 C39 H39 120.2 . .
C37 C39 H39 120.2 3_766 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 P1 2.1978(6) .
Au1 Cl1 2.2674(6) .
Au1 Au2 3.2138(2) .
Au2 P2 2.1992(6) .
Au2 Cl2 2.2714(6) .
P1 O2 1.5872(17) .
P1 O1 1.5874(17) .
P1 N1 1.688(2) .
P2 O4 1.5961(17) .
P2 O3 1.5993(18) .
P2 N1 1.685(2) .
O1 C1 1.411(3) .
O2 C10 1.424(3) .
O3 C19 1.423(3) .
O4 C28 1.415(3) .
N1 C37 1.459(3) .
C1 C6 1.383(3) .
C1 C2 1.391(3) .
C2 C3 1.393(4) .
C2 C7 1.510(3) .
C3 C4 1.391(4) .
C3 H3 0.9500 .
C4 C5 1.380(4) .
C4 H4 0.9500 .
C5 C6 1.391(4) .
C5 H5 0.9500 .
C6 H6 0.9500 .
C7 C8 1.502(4) .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C8 C9 1.311(4) .
C8 H8 0.9500 .
C9 H9A 0.9500 .
C9 H9B 0.9500 .
C10 C15 1.376(4) .
C10 C11 1.387(3) .
C11 C12 1.393(3) .
C11 C16 1.512(4) .
C12 C13 1.381(4) .
C12 H12 0.9500 .
C13 C14 1.381(4) .
C13 H13 0.9500 .
C14 C15 1.389(4) .
C14 H14 0.9500 .
C15 H15 0.9500 .
C16 C17 1.495(4) .
C16 H16A 0.9900 .
C16 H16B 0.9900 .
C17 C18 1.291(4) .
C17 H17 0.9500 .
C18 H18A 0.9500 .
C18 H18B 0.9500 .
C19 C24 1.383(3) .
C19 C20 1.387(4) .
C20 C21 1.394(4) .
C20 C25 1.513(4) .
C21 C22 1.382(4) .
C21 H21 0.9500 .
C22 C23 1.380(4) .
C22 H22 0.9500 .
C23 C24 1.389(4) .
C23 H23 0.9500 .
C24 H24 0.9500 .
C25 C26 1.481(4) .
C25 H25A 0.9900 .
C25 H25B 0.9900 .
C26 C27 1.308(6) .
C26 H26 0.9500 .
C27 H27A 0.9500 .
C27 H27B 0.9500 .
C28 C33 1.383(3) .
C28 C29 1.389(3) .
C29 C30 1.393(4) .
C29 C34 1.511(3) .
C30 C31 1.384(4) .
C30 H30 0.9500 .
C31 C32 1.386(4) .
C31 H31 0.9500 .
C32 C33 1.390(4) .
C32 H32 0.9500 .
C33 H33 0.9500 .
C34 C35 1.508(4) .
C34 H34A 0.9900 .
C34 H34B 0.9900 .
C35 C36 1.310(4) .
C35 H35 0.9500 .
C36 H36A 0.9500 .
C36 H36B 0.9500 .
C37 C38 1.384(3) .
C37 C39 1.392(3) 3_766
C38 C39 1.387(3) .
C38 H38 0.9500 .
C39 C37 1.392(3) 3_766
C39 H39 0.9500 .
