#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/52/7035209.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_7035209
loop_
_publ_author_name
'Yang, Xi'
'Wang, Shanshan'
'Ghiviriga, Ion'
'Abboud, Khalil A.'
'Veige, Adam S.'
_publ_section_title
;
 Organogold oligomers: exploiting iClick and aurophilic cluster formation
 to prepare solution stable Au4 repeating units.
;
_journal_issue                   25
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11437
_journal_page_last               11443
_journal_paper_doi               10.1039/c5dt00282f
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C82 H64 N6 P4 Au4, 4(C1 H1 Cl3)'
_chemical_formula_sum            'C86 H68 Au4 Cl12 N6 P4'
_chemical_formula_weight         2522.61
_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
_audit_update_record
;
2014-12-02 deposited with the CCDC.
2015-05-19 downloaded from the CCDC.
;
_cell_angle_alpha                91.385(1)
_cell_angle_beta                 106.155(1)
_cell_angle_gamma                112.428(1)
_cell_formula_units_Z            1
_cell_length_a                   12.4497(8)
_cell_length_b                   12.8216(8)
_cell_length_c                   15.5296(10)
_cell_measurement_reflns_used    9687
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.0
_cell_measurement_theta_min      2.0
_cell_volume                     2177.1(2)
_computing_cell_refinement       'Bruker APEX2'
_computing_data_collection       'Bruker APEX2 (Bruker, 2008)'
_computing_data_reduction        'Bruker SAINT (Bruker, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL (Bruker, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II DUO'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  'Bruker Triumph'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0498
_diffrn_reflns_av_sigmaI/netI    0.0252
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            54170
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.38
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    7.208
_exptl_absorpt_correction_T_max  0.6595
_exptl_absorpt_correction_T_min  0.3398
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details
'based on measured indexed crystal faces, Bruker SHELXTL  v6.14 (Bruker 2008)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.924
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plates
_exptl_crystal_F_000             1206
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.06
_refine_diff_density_max         5.863
_refine_diff_density_min         -2.366
_refine_diff_density_rms         0.162
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     499
_refine_ls_number_reflns         10005
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0317
_refine_ls_R_factor_gt           0.0285
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0309P)²+13.1838P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0728
_refine_ls_wR_factor_ref         0.0745
_reflns_number_gt                9177
_reflns_number_total             10005
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            c5dt00282f2.cif
_cod_data_source_block           xy06
_cod_depositor_comments
'Adding full bibliography for 7035209--7035211.cif.'
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7035209
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
Au1 Au 0.874802(14) 0.210389(13) 0.793448(11) 0.01509(5) Uani 1 1 d .
Au2 Au 1.087363(13) 0.322598(12) 1.012463(10) 0.01146(5) Uani 1 1 d .
P1 P 0.68407(10) 0.08194(9) 0.77155(8) 0.0163(2) Uani 1 1 d .
P2 P 1.01026(10) 0.29751(9) 1.13128(7) 0.0128(2) Uani 1 1 d .
N1 N 1.0541(3) 0.3133(3) 0.8170(2) 0.0129(7) Uani 1 1 d .
N2 N 1.1072(3) 0.3407(3) 0.7506(2) 0.0151(7) Uani 1 1 d .
N3 N 1.2272(3) 0.3897(3) 0.7889(2) 0.0143(7) Uani 1 1 d .
C1 C 1.1405(4) 0.3454(3) 0.9000(3) 0.0133(8) Uani 1 1 d .
C2 C 1.2518(4) 0.3937(3) 0.8808(3) 0.0117(7) Uani 1 1 d .
C3 C 1.3777(4) 0.4454(3) 0.9418(3) 0.0126(7) Uani 1 1 d .
C4 C 1.4044(4) 0.4583(3) 1.0363(3) 0.0142(8) Uani 1 1 d .
H4A H 1.3397 0.4297 1.0620 0.017 Uiso 1 1 calc R
C5 C 1.4755(2) 0.4877(2) 0.90702(17) 0.0145(8) Uani 1 1 d .
H5A H 1.4599 0.4794 0.8432 0.017 Uiso 1 1 calc R
C6 C 1.0986(2) 0.4051(2) 1.23082(17) 0.0152(8) Uani 1 1 d R
C7 C 1.0532(2) 0.4786(2) 1.26154(17) 0.0194(9) Uani 1 1 d R
H7A H 0.9743 0.4746 1.2295 0.023 Uiso 1 1 d R
C8 C 1.1254(5) 0.5578(4) 1.3398(3) 0.0233(10) Uani 1 1 d .
H8A H 1.0955 0.6082 1.3607 0.028 Uiso 1 1 calc R
C9 C 1.2387(5) 0.5635(4) 1.3866(3) 0.0262(10) Uani 1 1 d .
H9A H 1.2861 0.6166 1.4404 0.031 Uiso 1 1 calc R
C10 C 1.2850(5) 0.4923(4) 1.3558(3) 0.0262(10) Uani 1 1 d .
H10A H 1.3641 0.4971 1.3881 0.031 Uiso 1 1 calc R
C11 C 1.2153(4) 0.4140(4) 1.2778(3) 0.0223(9) Uani 1 1 d .
H11A H 1.2474 0.3661 1.2562 0.027 Uiso 1 1 calc R
C12 C 0.9934(4) 0.1640(4) 1.1752(3) 0.0154(8) Uani 1 1 d .
C13 C 0.9917(4) 0.1508(4) 1.2640(3) 0.0179(8) Uani 1 1 d .
H13A H 1.0052 0.2144 1.3046 0.022 Uiso 1 1 calc R
C14 C 0.9704(4) 0.0457(4) 1.2931(3) 0.0216(9) Uani 1 1 d .
H14A H 0.9674 0.0369 1.3531 0.026 Uiso 1 1 calc R
C15 C 0.9532(4) -0.0473(4) 1.2344(3) 0.0199(9) Uani 1 1 d .
H15A H 0.9377 -0.1196 1.2544 0.024 Uiso 1 1 calc R
C16 C 0.9586(4) -0.0352(4) 1.1473(3) 0.0179(8) Uani 1 1 d .
H16A H 0.9493 -0.0981 1.1080 0.021 Uiso 1 1 calc R
C17 C 0.9782(4) 0.0713(4) 1.1177(3) 0.0174(8) Uani 1 1 d .
H17A H 0.9809 0.0799 1.0577 0.021 Uiso 1 1 calc R
C18 C 0.8585(4) 0.2974(3) 1.0960(3) 0.0157(8) Uani 1 1 d .
C19 C 0.8251(4) 0.3437(4) 1.0172(3) 0.0179(8) Uani 1 1 d .
H19A H 0.8808 0.3736 0.9839 0.022 Uiso 1 1 calc R
C20 C 0.7097(4) 0.3455(4) 0.9881(3) 0.0237(10) Uani 1 1 d .
H20A H 0.6868 0.3775 0.9351 0.028 Uiso 1 1 calc R
C21 C 0.6278(4) 0.3008(4) 1.0361(4) 0.0251(10) Uani 1 1 d .
H21A H 0.5487 0.3015 1.0153 0.030 Uiso 1 1 calc R
C22 C 0.6603(4) 0.2554(4) 1.1137(4) 0.0278(11) Uani 1 1 d .
H22A H 0.6038 0.2252 1.1464 0.033 Uiso 1 1 calc R
C23 C 0.7765(4) 0.2537(4) 1.1446(4) 0.0228(9) Uani 1 1 d .
H23A H 0.7992 0.2229 1.1984 0.027 Uiso 1 1 calc R
C24 C 0.6778(4) -0.0012(4) 0.8653(3) 0.0169(8) Uani 1 1 d .
C25 C 0.7111(4) -0.0936(4) 0.8674(3) 0.0233(9) Uani 1 1 d .
H25A H 0.7336 -0.1155 0.8185 0.028 Uiso 1 1 calc R
C26 C 0.7115(4) -0.1533(4) 0.9401(4) 0.0261(10) Uani 1 1 d .
H26A H 0.7345 -0.2159 0.9409 0.031 Uiso 1 1 calc R
C27 C 0.6786(4) -0.1230(4) 1.0117(4) 0.0255(10) Uani 1 1 d .
H27A H 0.6771 -0.1656 1.0608 0.031 Uiso 1 1 calc R
C28 C 0.6476(4) -0.0292(4) 1.0112(3) 0.0245(10) Uani 1 1 d .
H28A H 0.6262 -0.0071 1.0606 0.029 Uiso 1 1 calc R
C29 C 0.6481(4) 0.0318(4) 0.9386(3) 0.0198(9) Uani 1 1 d .
H29A H 0.6281 0.0963 0.9389 0.024 Uiso 1 1 calc R
C30 C 0.5688(4) 0.1380(4) 0.7619(3) 0.0181(8) Uani 1 1 d .
C31 C 0.5954(4) 0.2505(4) 0.7474(3) 0.0201(9) Uani 1 1 d .
H31A H 0.6737 0.2969 0.7432 0.024 Uiso 1 1 calc R
C32 C 0.5078(5) 0.2952(5) 0.7391(3) 0.0265(10) Uani 1 1 d .
H32A H 0.5266 0.3722 0.7295 0.032 Uiso 1 1 calc R
C33 C 0.3932(5) 0.2275(5) 0.7448(4) 0.0293(11) Uani 1 1 d .
H33A H 0.3333 0.2580 0.7390 0.035 Uiso 1 1 calc R
C34 C 0.3665(5) 0.1158(5) 0.7588(4) 0.0323(12) Uani 1 1 d .
H34A H 0.2879 0.0695 0.7625 0.039 Uiso 1 1 calc R
C35 C 0.4526(4) 0.0703(5) 0.7675(4) 0.0272(10) Uani 1 1 d .
H35A H 0.4332 -0.0067 0.7773 0.033 Uiso 1 1 calc R
C36 C 0.6306(4) -0.0218(4) 0.6696(3) 0.0208(9) Uani 1 1 d .
C37 C 0.7140(5) -0.0599(5) 0.6521(4) 0.0333(12) Uani 1 1 d .
H37A H 0.7958 -0.0309 0.6916 0.040 Uiso 1 1 calc R
C38 C 0.6775(6) -0.1411(5) 0.5762(5) 0.0438(16) Uani 1 1 d .
H38A H 0.7340 -0.1684 0.5649 0.053 Uiso 1 1 calc R
C39 C 0.5597(6) -0.1813(5) 0.5180(4) 0.0402(14) Uani 1 1 d .
H39A H 0.5352 -0.2360 0.4662 0.048 Uiso 1 1 calc R
C40 C 0.4768(6) -0.1422(4) 0.5348(4) 0.0341(12) Uani 1 1 d .
H40A H 0.3957 -0.1696 0.4944 0.041 Uiso 1 1 calc R
C41 C 0.5126(5) -0.0627(4) 0.6109(3) 0.0261(10) Uani 1 1 d .
H41A H 0.4556 -0.0363 0.6225 0.031 Uiso 1 1 calc R
Cl1 Cl 1.24792(13) 0.62584(13) 0.62601(9) 0.0348(3) Uani 1 1 d .
Cl2 Cl 1.36211(15) 0.47504(14) 0.59475(11) 0.0435(3) Uani 1 1 d .
Cl3 Cl 1.49953(12) 0.67689(12) 0.72852(10) 0.0388(3) Uani 1 1 d .
C42 C 1.3538(4) 0.5680(4) 0.6761(3) 0.0268(10) Uani 1 1 d .
H42A H 1.3259 0.5233 0.7235 0.032 Uiso 1 1 calc R
Cl4 Cl 1.10542(13) 0.16963(12) 0.54245(9) 0.0330(3) Uani 1 1 d .
Cl5 Cl 0.85861(16) 0.14094(17) 0.52340(16) 0.0614(5) Uani 1 1 d .
Cl6 Cl 1.01944(13) 0.33995(11) 0.46934(9) 0.0326(3) Uani 1 1 d .
C43 C 1.0100(5) 0.2411(4) 0.5459(3) 0.0249(10) Uani 1 1 d .
H43A H 1.0378 0.2833 0.6084 0.030 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'
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
N1 Au1 P1 173.81(10) .
C1 Au2 P2 174.50(12) .
C30 P1 C24 105.5(2) .
C30 P1 C36 106.6(2) .
C24 P1 C36 105.7(2) .
C30 P1 Au1 116.27(15) .
C24 P1 Au1 110.55(14) .
C36 P1 Au1 111.51(15) .
C18 P2 C6 106.44(16) .
C18 P2 C12 105.9(2) .
C6 P2 C12 103.83(17) .
C18 P2 Au2 109.63(15) .
C6 P2 Au2 115.63(9) .
C12 P2 Au2 114.62(14) .
N2 N1 C1 110.6(3) .
N2 N1 Au1 123.8(3) .
C1 N1 Au1 124.5(3) .
N3 N2 N1 108.4(3) .
N3 N2 H43A 118.3 .
N1 N2 H43A 131.2 .
N2 N3 C2 108.3(3) .
N2 N3 H42A 115.9 .
C2 N3 H42A 124.4 .
N1 C1 C2 104.0(3) .
N1 C1 Au2 119.4(3) .
C2 C1 Au2 136.5(3) .
N3 C2 C1 108.6(4) .
N3 C2 C3 121.0(4) .
C1 C2 C3 130.4(4) .
C5 C3 C4 117.7(4) .
C5 C3 C2 120.4(3) .
C4 C3 C2 121.9(4) .
C5 C4 C3 120.9(4) 2_867
C5 C4 H4A 119.6 2_867
C3 C4 H4A 119.6 .
C4 C5 C3 121.5(3) 2_867
C4 C5 H5A 119.3 2_867
C3 C5 H5A 119.3 .
C11 C6 C7 119.4(2) .
C11 C6 P2 118.2(3) .
C7 C6 P2 122.38(9) .
C8 C7 C6 119.2(2) .
C8 C7 H7A 120.4 .
C6 C7 H7A 120.4 .
C9 C8 C7 120.7(4) .
C9 C8 H8A 119.6 .
C7 C8 H8A 119.6 .
C8 C9 C10 120.4(4) .
C8 C9 H9A 119.8 .
C10 C9 H9A 119.8 .
C11 C10 C9 119.8(5) .
C11 C10 H10A 120.1 .
C9 C10 H10A 120.1 .
C10 C11 C6 120.5(4) .
C10 C11 H11A 119.8 .
C6 C11 H11A 119.8 .
C17 C12 C13 119.1(4) .
C17 C12 P2 118.8(3) .
C13 C12 P2 122.1(3) .
C14 C13 C12 120.5(4) .
C14 C13 H13A 119.8 .
C12 C13 H13A 119.8 .
C13 C14 C15 120.0(4) .
C13 C14 H14A 120.0 .
C15 C14 H14A 120.0 .
C16 C15 C14 120.5(4) .
C16 C15 H15A 119.8 .
C14 C15 H15A 119.8 .
C15 C16 C17 119.2(4) .
C15 C16 H16A 120.4 .
C17 C16 H16A 120.4 .
C12 C17 C16 120.8(4) .
C12 C17 H17A 119.6 .
C16 C17 H17A 119.6 .
C23 C18 C19 120.1(4) .
C23 C18 P2 122.2(4) .
C19 C18 P2 117.7(3) .
C20 C19 C18 119.5(4) .
C20 C19 H19A 120.3 .
C18 C19 H19A 120.3 .
C21 C20 C19 120.3(5) .
C21 C20 H20A 119.8 .
C19 C20 H20A 119.8 .
C22 C21 C20 120.4(4) .
C22 C21 H21A 119.8 .
C20 C21 H21A 119.8 .
C21 C22 C23 120.2(5) .
C21 C22 H22A 119.9 .
C23 C22 H22A 119.9 .
C18 C23 C22 119.6(5) .
C18 C23 H23A 120.2 .
C22 C23 H23A 120.2 .
C29 C24 C25 119.1(4) .
C29 C24 P1 120.4(3) .
C25 C24 P1 120.3(4) .
C26 C25 C24 120.3(5) .
C26 C25 H25A 119.8 .
C24 C25 H25A 119.8 .
C25 C26 C27 120.7(4) .
C25 C26 H26A 119.6 .
C27 C26 H26A 119.6 .
C26 C27 C28 119.5(5) .
C26 C27 H27A 120.3 .
C28 C27 H27A 120.3 .
C29 C28 C27 120.1(5) .
C29 C28 H28A 120.0 .
C27 C28 H28A 120.0 .
C28 C29 C24 120.2(4) .
C28 C29 H29A 119.9 .
C24 C29 H29A 119.9 .
C31 C30 C35 119.2(4) .
C31 C30 P1 119.1(3) .
C35 C30 P1 121.7(4) .
C30 C31 C32 120.2(4) .
C30 C31 H31A 119.9 .
C32 C31 H31A 119.9 .
C33 C32 C31 120.2(5) .
C33 C32 H32A 119.9 .
C31 C32 H32A 119.9 .
C34 C33 C32 119.7(5) .
C34 C33 H33A 120.2 .
C32 C33 H33A 120.2 .
C33 C34 C35 120.8(5) .
C33 C34 H34A 119.6 .
C35 C34 H34A 119.6 .
C34 C35 C30 120.0(5) .
C34 C35 H35A 120.0 .
C30 C35 H35A 120.0 .
C41 C36 C37 119.7(5) .
C41 C36 P1 122.9(4) .
C37 C36 P1 117.4(4) .
C36 C37 C38 119.9(5) .
C36 C37 H37A 120.1 .
C38 C37 H37A 120.1 .
C39 C38 C37 120.0(6) .
C39 C38 H38A 120.0 .
C37 C38 H38A 120.0 .
C38 C39 C40 120.1(5) .
C38 C39 H39A 120.0 .
C40 C39 H39A 120.0 .
C39 C40 C41 119.9(5) .
C39 C40 H40A 120.0 .
C41 C40 H40A 120.0 .
C36 C41 C40 120.4(5) .
C36 C41 H41A 119.8 .
C40 C41 H41A 119.8 .
Cl3 C42 Cl1 110.7(3) .
Cl3 C42 Cl2 109.9(3) .
Cl1 C42 Cl2 110.8(3) .
Cl3 C42 H42A 108.4 .
Cl1 C42 H42A 108.4 .
Cl2 C42 H42A 108.4 .
Cl6 C43 Cl5 111.0(3) .
Cl6 C43 Cl4 111.2(3) .
Cl5 C43 Cl4 109.6(3) .
Cl6 C43 H43A 108.3 .
Cl5 C43 H43A 108.3 .
Cl4 C43 H43A 108.3 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 N1 2.033(4) .
Au1 P1 2.2374(11) .
Au2 C1 2.023(4) .
Au2 P2 2.2822(10) .
P1 C30 1.809(5) .
P1 C24 1.826(5) .
P1 C36 1.832(5) .
P2 C18 1.814(4) .
P2 C6 1.815(3) .
P2 C12 1.817(4) .
N1 N2 1.357(5) .
N1 C1 1.362(5) .
N2 N3 1.323(5) .
N2 H43A 2.1308 .
N3 C2 1.368(5) .
N3 H42A 2.1573 .
C1 C2 1.407(6) .
C2 C3 1.464(6) .
C3 C5 1.395(5) .
C3 C4 1.402(6) .
C4 C5 1.392(5) 2_867
C4 H4A 0.9500 .
C5 C4 1.392(5) 2_867
C5 H5A 0.9500 .
C6 C11 1.392(5) .
C6 C7 1.4037 .
C7 C8 1.397(5) .
C7 H7A 0.9500 .
C8 C9 1.368(8) .
C8 H8A 0.9500 .
C9 C10 1.389(7) .
C9 H9A 0.9500 .
C10 C11 1.385(7) .
C10 H10A 0.9500 .
C11 H11A 0.9500 .
C12 C17 1.388(6) .
C12 C13 1.399(6) .
C13 C14 1.383(6) .
C13 H13A 0.9500 .
C14 C15 1.394(7) .
C14 H14A 0.9500 .
C15 C16 1.382(7) .
C15 H15A 0.9500 .
C16 C17 1.404(6) .
C16 H16A 0.9500 .
C17 H17A 0.9500 .
C18 C23 1.392(6) .
C18 C19 1.402(6) .
C19 C20 1.391(6) .
C19 H19A 0.9500 .
C20 C21 1.386(7) .
C20 H20A 0.9500 .
C21 C22 1.378(8) .
C21 H21A 0.9500 .
C22 C23 1.401(7) .
C22 H22A 0.9500 .
C23 H23A 0.9500 .
C24 C29 1.394(6) .
C24 C25 1.395(6) .
C25 C26 1.379(7) .
C25 H25A 0.9500 .
C26 C27 1.381(8) .
C26 H26A 0.9500 .
C27 C28 1.396(7) .
C27 H27A 0.9500 .
C28 C29 1.387(7) .
C28 H28A 0.9500 .
C29 H29A 0.9500 .
C30 C31 1.391(6) .
C30 C35 1.402(7) .
C31 C32 1.392(7) .
C31 H31A 0.9500 .
C32 C33 1.388(8) .
C32 H32A 0.9500 .
C33 C34 1.379(8) .
C33 H33A 0.9500 .
C34 C35 1.381(7) .
C34 H34A 0.9500 .
C35 H35A 0.9500 .
C36 C41 1.382(7) .
C36 C37 1.388(7) .
C37 C38 1.401(7) .
C37 H37A 0.9500 .
C38 C39 1.378(9) .
C38 H38A 0.9500 .
C39 C40 1.388(9) .
C39 H39A 0.9500 .
C40 C41 1.391(7) .
C40 H40A 0.9500 .
C41 H41A 0.9500 .
Cl1 C42 1.760(5) .
Cl2 C42 1.766(6) .
Cl3 C42 1.759(5) .
C42 H42A 1.0000 .
Cl4 C43 1.766(5) .
Cl5 C43 1.757(5) .
Cl6 C43 1.753(5) .
C43 H43A 1.0000 .
