#------------------------------------------------------------------------------
#$Date: 2026-04-05 14:07:35 +0200 (Sun 05 de Apr de 2026) $
#$Revision: 305372 $
#$URL: svn://www.crystallography.net/cod/cif/7/72/06/7720650.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_7720650
loop_
_publ_author_name
'Rezazgui, David'
'Císařová, Ivana'
'Štěpnička, Petr'
'Schulz, Jiří'
_publ_section_title
;
 Synthesis of hybrid phosphinoferrocene ligands bearing amine pendants and
 catalytic evaluation of their gold(I) complexes.
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5397
_journal_page_last               5407
_journal_paper_doi               10.1039/d6dt00321d
_journal_volume                  55
_journal_year                    2026
_chemical_formula_moiety         'C26 H26 Au Cl Fe N P S'
_chemical_formula_sum            'C26 H26 Au Cl Fe N P S'
_chemical_formula_weight         703.77
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2025-12-18 deposited with the CCDC.	2026-03-09 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 99.4140(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.6322(2)
_cell_length_b                   19.2608(4)
_cell_length_c                   13.0816(2)
_cell_measurement_reflns_used    9710
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.49
_cell_measurement_theta_min      2.39
_cell_volume                     2394.26(8)
_computing_cell_refinement       'APEX3 v2019.11-0 (Bruker AXS)'
_computing_data_collection       'Bruker Instrument Service vV6.2.15'
_computing_data_reduction        'SAINT V8.40B (Bruker Nano, Inc., 2019)'
_computing_molecular_graphics    'PLATON (Spek, 2017)'
_computing_publication_material  'PLATON (Spek, 2017)'
_computing_structure_refinement  'SHELXL-2017 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXT 2018 (Sheldrick, 2018)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker D8 VENTURE Kappa Duo'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  'Quazar Mo multilayer optic'
_diffrn_radiation_source         'I\mS micro-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0245
_diffrn_reflns_av_unetI/netI     0.0166
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            34644
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.497
_diffrn_reflns_theta_min         1.899
_exptl_absorpt_coefficient_mu    7.008
_exptl_absorpt_correction_T_max  0.52
_exptl_absorpt_correction_T_min  0.33
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS-2016/2 - Bruker AXS'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.952
_exptl_crystal_description       prism
_exptl_crystal_F_000             1368
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.769
_refine_diff_density_min         -0.702
_refine_diff_density_rms         0.071
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.105
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         5468
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.105
_refine_ls_R_factor_all          0.0147
_refine_ls_R_factor_gt           0.0145
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0058P)²+3.1198P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0338
_refine_ls_wR_factor_ref         0.0339
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5400
_reflns_number_total             5468
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d6dt00321d3.cif
_cod_data_source_block           dr302
_cod_depositor_comments
'Adding full bibliography for 7720642--7720664.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7720650
_shelx_shelxl_version_number     2017/1
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.244
_shelx_estimated_absorpt_t_max   0.513
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.13932(2) 0.34312(2) 0.23433(2) 0.01353(3) Uani 1 1 d . . . . .
Cl1 Cl -0.03151(5) 0.40905(2) 0.13843(4) 0.01985(9) Uani 1 1 d . . . . .
Fe1 Fe 0.23965(3) 0.35396(2) 0.56104(2) 0.01210(5) Uani 1 1 d . . . . .
P1 P 0.29787(5) 0.27838(2) 0.33602(4) 0.01182(9) Uani 1 1 d . . . . .
S1 S 0.36689(6) 0.38754(3) 1.01962(4) 0.02484(11) Uani 1 1 d . . . . .
N1 N 0.31917(16) 0.42968(8) 0.78136(12) 0.0141(3) Uani 1 1 d . . . . .
C1 C 0.2884(2) 0.43213(9) 0.67306(15) 0.0136(3) Uani 1 1 d . . . . .
C2 C 0.1520(2) 0.44190(10) 0.61226(15) 0.0155(4) Uani 1 1 d . . . . .
H2 H 0.065431 0.443613 0.638104 0.019 Uiso 1 1 calc R U . . .
C3 C 0.1683(2) 0.44866(10) 0.50587(15) 0.0184(4) Uani 1 1 d . . . . .
H3 H 0.095065 0.456446 0.448991 0.022 Uiso 1 1 calc R U . . .
C4 C 0.3142(2) 0.44161(10) 0.50064(16) 0.0179(4) Uani 1 1 d . . . . .
H4 H 0.355253 0.443956 0.439458 0.022 Uiso 1 1 calc R U . . .
C5 C 0.3879(2) 0.43044(10) 0.60280(15) 0.0156(4) Uani 1 1 d . . . . .
H5 H 0.486366 0.423108 0.621268 0.019 Uiso 1 1 calc R U . . .
C6 C 0.2564(2) 0.27368(9) 0.46389(14) 0.0134(3) Uani 1 1 d . . . . .
C7 C 0.3452(2) 0.26231(9) 0.56190(15) 0.0166(4) Uani 1 1 d . . . . .
H7 H 0.444609 0.257052 0.573091 0.020 Uiso 1 1 calc R U . . .
C8 C 0.2569(2) 0.26036(10) 0.63922(16) 0.0213(4) Uani 1 1 d . . . . .
H8 H 0.287569 0.253030 0.711186 0.026 Uiso 1 1 calc R U . . .
C9 C 0.1159(2) 0.27116(11) 0.59114(17) 0.0228(4) Uani 1 1 d . . . . .
H9 H 0.036221 0.272778 0.625332 0.027 Uiso 1 1 calc R U . . .
C10 C 0.1140(2) 0.27918(11) 0.48290(16) 0.0192(4) Uani 1 1 d . . . . .
H10 H 0.033006 0.286810 0.432114 0.023 Uiso 1 1 calc R U . . .
C11 C 0.29976(19) 0.18841(10) 0.29382(14) 0.0130(3) Uani 1 1 d . . . . .
C12 C 0.2707(2) 0.17298(10) 0.18809(15) 0.0153(4) Uani 1 1 d . . . . .
H12 H 0.249117 0.209329 0.138977 0.018 Uiso 1 1 calc R U . . .
C13 C 0.2733(2) 0.10452(11) 0.15460(16) 0.0178(4) Uani 1 1 d . . . . .
H13 H 0.254859 0.094109 0.082673 0.021 Uiso 1 1 calc R U . . .
C14 C 0.3032(2) 0.05129(10) 0.22698(16) 0.0177(4) Uani 1 1 d . . . . .
H14 H 0.304467 0.004489 0.204221 0.021 Uiso 1 1 calc R U . . .
C15 C 0.3310(2) 0.06623(10) 0.33209(16) 0.0172(4) Uani 1 1 d . . . . .
H15 H 0.350853 0.029669 0.381038 0.021 Uiso 1 1 calc R U . . .
C16 C 0.3298(2) 0.13466(10) 0.36594(15) 0.0149(4) Uani 1 1 d . . . . .
H16 H 0.349391 0.144872 0.437914 0.018 Uiso 1 1 calc R U . . .
C17 C 0.4786(2) 0.30799(10) 0.34619(14) 0.0140(3) Uani 1 1 d . . . . .
C18 C 0.5069(2) 0.36925(10) 0.29557(15) 0.0165(4) Uani 1 1 d . . . . .
H18 H 0.431904 0.394832 0.256722 0.020 Uiso 1 1 calc R U . . .
C19 C 0.6447(2) 0.39263(11) 0.30217(17) 0.0212(4) Uani 1 1 d . . . . .
H19 H 0.663986 0.433772 0.266948 0.025 Uiso 1 1 calc R U . . .
C20 C 0.7538(2) 0.35597(11) 0.36004(17) 0.0216(4) Uani 1 1 d . . . . .
H20 H 0.847628 0.372644 0.365848 0.026 Uiso 1 1 calc R U . . .
C21 C 0.7266(2) 0.29465(11) 0.40986(16) 0.0188(4) Uani 1 1 d . . . . .
H21 H 0.801419 0.269252 0.449160 0.023 Uiso 1 1 calc R U . . .
C22 C 0.5883(2) 0.27096(10) 0.40143(15) 0.0158(4) Uani 1 1 d . . . . .
H22 H 0.569542 0.228761 0.434210 0.019 Uiso 1 1 calc R U . . .
C23 C 0.4438(2) 0.38879(11) 0.82408(15) 0.0187(4) Uani 1 1 d . . . . .
H23A H 0.519848 0.398069 0.783329 0.022 Uiso 1 1 calc R U . . .
H23B H 0.420436 0.338766 0.817604 0.022 Uiso 1 1 calc R U . . .
C24 C 0.4961(2) 0.40596(12) 0.93737(16) 0.0225(4) Uani 1 1 d . . . . .
H24A H 0.521280 0.455793 0.943418 0.027 Uiso 1 1 calc R U . . .
H24B H 0.582300 0.378741 0.961841 0.027 Uiso 1 1 calc R U . . .
C25 C 0.2264(2) 0.43793(12) 0.94634(16) 0.0214(4) Uani 1 1 d . . . . .
H25A H 0.139690 0.431290 0.976657 0.026 Uiso 1 1 calc R U . . .
H25B H 0.251647 0.487759 0.952354 0.026 Uiso 1 1 calc R U . . .
C26 C 0.1970(2) 0.41817(11) 0.83280(15) 0.0174(4) Uani 1 1 d . . . . .
H26A H 0.169931 0.368578 0.826507 0.021 Uiso 1 1 calc R U . . .
H26B H 0.116758 0.445924 0.797482 0.021 Uiso 1 1 calc R U . . .
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'
Au Au -2.0133 8.8022 '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'
Fe Fe 0.3463 0.8444 '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'
S S 0.1246 0.1234 '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
P1 Au1 Cl1 176.356(17) . . ?
C6 Fe1 C7 41.45(7) . . ?
C6 Fe1 C3 121.19(8) . . ?
C7 Fe1 C3 156.42(8) . . ?
C6 Fe1 C4 108.61(8) . . ?
C7 Fe1 C4 120.77(8) . . ?
C3 Fe1 C4 40.84(8) . . ?
C6 Fe1 C10 41.36(7) . . ?
C7 Fe1 C10 69.28(8) . . ?
C3 Fe1 C10 108.41(9) . . ?
C4 Fe1 C10 127.26(8) . . ?
C6 Fe1 C2 156.07(8) . . ?
C7 Fe1 C2 160.90(8) . . ?
C3 Fe1 C2 40.96(8) . . ?
C4 Fe1 C2 68.53(8) . . ?
C10 Fe1 C2 120.20(8) . . ?
C6 Fe1 C5 126.08(7) . . ?
C7 Fe1 C5 107.11(8) . . ?
C3 Fe1 C5 68.49(8) . . ?
C4 Fe1 C5 40.57(8) . . ?
C10 Fe1 C5 164.45(8) . . ?
C2 Fe1 C5 68.18(8) . . ?
C6 Fe1 C8 68.67(8) . . ?
C7 Fe1 C8 40.64(8) . . ?
C3 Fe1 C8 161.99(8) . . ?
C4 Fe1 C8 155.16(9) . . ?
C10 Fe1 C8 68.03(9) . . ?
C2 Fe1 C8 124.22(8) . . ?
C5 Fe1 C8 119.74(9) . . ?
C6 Fe1 C9 68.78(8) . . ?
C7 Fe1 C9 68.48(8) . . ?
C3 Fe1 C9 125.89(9) . . ?
C4 Fe1 C9 163.97(9) . . ?
C10 Fe1 C9 40.45(8) . . ?
C2 Fe1 C9 107.07(8) . . ?
C5 Fe1 C9 153.71(8) . . ?
C8 Fe1 C9 40.06(9) . . ?
C6 Fe1 C1 162.55(8) . . ?
C7 Fe1 C1 124.29(8) . . ?
C3 Fe1 C1 68.25(8) . . ?
C4 Fe1 C1 67.97(7) . . ?
C10 Fe1 C1 154.23(8) . . ?
C2 Fe1 C1 40.33(7) . . ?
C5 Fe1 C1 40.27(7) . . ?
C8 Fe1 C1 106.83(8) . . ?
C9 Fe1 C1 119.35(8) . . ?
C6 P1 C17 107.82(9) . . ?
C6 P1 C11 104.54(9) . . ?
C17 P1 C11 105.32(8) . . ?
C6 P1 Au1 110.51(6) . . ?
C17 P1 Au1 114.97(6) . . ?
C11 P1 Au1 113.00(6) . . ?
C25 S1 C24 96.16(10) . . ?
C1 N1 C26 114.63(15) . . ?
C1 N1 C23 115.35(15) . . ?
C26 N1 C23 114.35(16) . . ?
N1 C1 C2 126.14(17) . . ?
N1 C1 C5 126.50(17) . . ?
C2 C1 C5 107.22(16) . . ?
N1 C1 Fe1 131.93(13) . . ?
C2 C1 Fe1 68.09(10) . . ?
C5 C1 Fe1 68.45(11) . . ?
C3 C2 C1 108.35(17) . . ?
C3 C2 Fe1 68.98(11) . . ?
C1 C2 Fe1 71.58(10) . . ?
C3 C2 H2 125.8 . . ?
C1 C2 H2 125.8 . . ?
Fe1 C2 H2 125.2 . . ?
C4 C3 C2 107.72(17) . . ?
C4 C3 Fe1 69.75(11) . . ?
C2 C3 Fe1 70.06(11) . . ?
C4 C3 H3 126.1 . . ?
C2 C3 H3 126.1 . . ?
Fe1 C3 H3 125.6 . . ?
C5 C4 C3 108.29(17) . . ?
C5 C4 Fe1 70.43(11) . . ?
C3 C4 Fe1 69.42(11) . . ?
C5 C4 H4 125.9 . . ?
C3 C4 H4 125.9 . . ?
Fe1 C4 H4 125.9 . . ?
C4 C5 C1 108.38(17) . . ?
C4 C5 Fe1 69.01(11) . . ?
C1 C5 Fe1 71.28(11) . . ?
C4 C5 H5 125.8 . . ?
C1 C5 H5 125.8 . . ?
Fe1 C5 H5 125.5 . . ?
C7 C6 C10 107.60(17) . . ?
C7 C6 P1 130.71(15) . . ?
C10 C6 P1 121.65(15) . . ?
C7 C6 Fe1 69.71(10) . . ?
C10 C6 Fe1 70.05(11) . . ?
P1 C6 Fe1 127.07(10) . . ?
C8 C7 C6 107.46(18) . . ?
C8 C7 Fe1 70.80(11) . . ?
C6 C7 Fe1 68.84(10) . . ?
C8 C7 H7 126.3 . . ?
C6 C7 H7 126.3 . . ?
Fe1 C7 H7 125.7 . . ?
C9 C8 C7 108.75(18) . . ?
C9 C8 Fe1 70.01(12) . . ?
C7 C8 Fe1 68.56(11) . . ?
C9 C8 H8 125.6 . . ?
C7 C8 H8 125.6 . . ?
Fe1 C8 H8 127.4 . . ?
C8 C9 C10 108.27(18) . . ?
C8 C9 Fe1 69.93(11) . . ?
C10 C9 Fe1 68.91(11) . . ?
C8 C9 H9 125.9 . . ?
C10 C9 H9 125.9 . . ?
Fe1 C9 H9 126.9 . . ?
C9 C10 C6 107.90(18) . . ?
C9 C10 Fe1 70.63(12) . . ?
C6 C10 Fe1 68.58(11) . . ?
C9 C10 H10 126.0 . . ?
C6 C10 H10 126.0 . . ?
Fe1 C10 H10 126.3 . . ?
C12 C11 C16 119.74(17) . . ?
C12 C11 P1 119.50(14) . . ?
C16 C11 P1 120.76(14) . . ?
C13 C12 C11 120.16(18) . . ?
C13 C12 H12 119.9 . . ?
C11 C12 H12 119.9 . . ?
C12 C13 C14 119.73(18) . . ?
C12 C13 H13 120.1 . . ?
C14 C13 H13 120.1 . . ?
C15 C14 C13 120.38(18) . . ?
C15 C14 H14 119.8 . . ?
C13 C14 H14 119.8 . . ?
C14 C15 C16 120.12(18) . . ?
C14 C15 H15 119.9 . . ?
C16 C15 H15 119.9 . . ?
C15 C16 C11 119.87(18) . . ?
C15 C16 H16 120.1 . . ?
C11 C16 H16 120.1 . . ?
C22 C17 C18 119.47(18) . . ?
C22 C17 P1 121.32(14) . . ?
C18 C17 P1 119.21(15) . . ?
C19 C18 C17 120.04(19) . . ?
C19 C18 H18 120.0 . . ?
C17 C18 H18 120.0 . . ?
C20 C19 C18 120.03(19) . . ?
C20 C19 H19 120.0 . . ?
C18 C19 H19 120.0 . . ?
C19 C20 C21 120.22(19) . . ?
C19 C20 H20 119.9 . . ?
C21 C20 H20 119.9 . . ?
C20 C21 C22 119.4(2) . . ?
C20 C21 H21 120.3 . . ?
C22 C21 H21 120.3 . . ?
C17 C22 C21 120.84(19) . . ?
C17 C22 H22 119.6 . . ?
C21 C22 H22 119.6 . . ?
N1 C23 C24 111.96(16) . . ?
N1 C23 H23A 109.2 . . ?
C24 C23 H23A 109.2 . . ?
N1 C23 H23B 109.2 . . ?
C24 C23 H23B 109.2 . . ?
H23A C23 H23B 107.9 . . ?
C23 C24 S1 112.75(15) . . ?
C23 C24 H24A 109.0 . . ?
S1 C24 H24A 109.0 . . ?
C23 C24 H24B 109.0 . . ?
S1 C24 H24B 109.0 . . ?
H24A C24 H24B 107.8 . . ?
C26 C25 S1 112.89(14) . . ?
C26 C25 H25A 109.0 . . ?
S1 C25 H25A 109.0 . . ?
C26 C25 H25B 109.0 . . ?
S1 C25 H25B 109.0 . . ?
H25A C25 H25B 107.8 . . ?
N1 C26 C25 112.15(17) . . ?
N1 C26 H26A 109.2 . . ?
C25 C26 H26A 109.2 . . ?
N1 C26 H26B 109.2 . . ?
C25 C26 H26B 109.2 . . ?
H26A C26 H26B 107.9 . . ?
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
Au1 P1 2.2343(5) . ?
Au1 Cl1 2.2844(5) . ?
Fe1 C6 2.0245(18) . ?
Fe1 C7 2.0362(19) . ?
Fe1 C3 2.0390(19) . ?
Fe1 C4 2.0434(19) . ?
Fe1 C10 2.044(2) . ?
Fe1 C2 2.0535(19) . ?
Fe1 C5 2.0622(19) . ?
Fe1 C8 2.066(2) . ?
Fe1 C9 2.067(2) . ?
Fe1 C1 2.0999(19) . ?
P1 C6 1.7845(19) . ?
P1 C17 1.816(2) . ?
P1 C11 1.8196(19) . ?
S1 C25 1.807(2) . ?
S1 C24 1.808(2) . ?
N1 C1 1.400(2) . ?
N1 C26 1.465(2) . ?
N1 C23 1.468(2) . ?
C1 C2 1.433(3) . ?
C1 C5 1.433(2) . ?
C2 C3 1.432(3) . ?
C2 H2 0.9500 . ?
C3 C4 1.424(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.423(3) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
C6 C7 1.437(3) . ?
C6 C10 1.437(3) . ?
C7 C8 1.425(3) . ?
C7 H7 0.9500 . ?
C8 C9 1.416(3) . ?
C8 H8 0.9500 . ?
C9 C10 1.422(3) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C11 C12 1.397(3) . ?
C11 C16 1.399(3) . ?
C12 C13 1.391(3) . ?
C12 H12 0.9500 . ?
C13 C14 1.393(3) . ?
C13 H13 0.9500 . ?
C14 C15 1.387(3) . ?
C14 H14 0.9500 . ?
C15 C16 1.391(3) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C17 C22 1.377(3) . ?
C17 C18 1.402(3) . ?
C18 C19 1.391(3) . ?
C18 H18 0.9500 . ?
C19 C20 1.384(3) . ?
C19 H19 0.9500 . ?
C20 C21 1.395(3) . ?
C20 H20 0.9500 . ?
C21 C22 1.395(3) . ?
C21 H21 0.9500 . ?
C22 H22 0.9500 . ?
C23 C24 1.522(3) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.514(3) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
