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#$Date: 2023-05-05 04:51:52 +0300 (Fri, 05 May 2023) $
#$Revision: 283261 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/19/7711964.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_7711964
loop_
_publ_author_name
'Schulz, Jiří'
'Antala, Jakub'
'Císařová, Ivana'
'Štěpnička, Petr'
_publ_section_title
;
 Beyond phosphorus: synthesis, reactivity, coordination behaviour and
 catalytic properties of 1,1'-bis(diphenylstibino)ferrocene.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1198
_journal_page_last               1211
_journal_paper_doi               10.1039/d2dt03770j
_journal_volume                  52
_journal_year                    2023
_chemical_formula_moiety         'C34 H28 Fe Sb2'
_chemical_formula_sum            'C34 H28 Fe Sb2'
_chemical_formula_weight         735.91
_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-2014/7
_audit_update_record
;
2022-11-11 deposited with the CCDC.	2022-12-15 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90.5760(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   14.1459(4)
_cell_length_b                   13.0300(4)
_cell_length_c                   15.2921(5)
_cell_measurement_reflns_used    9900
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.53
_cell_measurement_theta_min      2.50
_cell_volume                     2818.51(15)
_computing_cell_refinement       'SAINT V8.37A (Bruker AXS Inc.)'
_computing_data_collection       'Bruker Instrument Service v2015.5.1.2'
_computing_data_reduction        'SAINT V8.37A (Bruker AXS Inc.)'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'PLATON (Spek, 2003)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'XT, VERSION 2014/5'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX2'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0265
_diffrn_reflns_av_unetI/netI     0.0223
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            32862
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.545
_diffrn_reflns_theta_min         1.971
_exptl_absorpt_coefficient_mu    2.432
_exptl_absorpt_correction_T_max  0.73
_exptl_absorpt_correction_T_min  0.64
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   SADABS-2014/5
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.734
_exptl_crystal_description       prism
_exptl_crystal_F_000             1440
_exptl_crystal_size_max          0.310
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.146
_refine_diff_density_max         1.719
_refine_diff_density_min         -0.422
_refine_diff_density_rms         0.089
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     334
_refine_ls_number_reflns         6495
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0344
_refine_ls_R_factor_gt           0.0270
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0325P)²+3.1464P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0647
_refine_ls_wR_factor_ref         0.0684
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5514
_reflns_number_total             6495
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt03770j3.cif
_cod_data_source_block           js298
_cod_depositor_comments
'Adding full bibliography for 7711945--7711966.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7711964
_shelx_shelxl_version_number     2014/7
_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   0.519
_shelx_estimated_absorpt_t_max   0.718
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
Sb1 Sb 0.75528(2) 0.46289(2) 0.24287(2) 0.02708(6) Uani 1 1 d . . . . .
Sb2 Sb 0.44505(2) 0.41072(2) 0.38591(2) 0.03002(6) Uani 1 1 d . . . . .
Fe Fe 0.52582(3) 0.37681(3) 0.15702(3) 0.02534(9) Uani 1 1 d . . . . .
C1 C 0.66836(18) 0.3564(2) 0.17520(19) 0.0281(6) Uani 1 1 d . . . . .
C2 C 0.64406(19) 0.3519(2) 0.0844(2) 0.0317(6) Uani 1 1 d . . . . .
H2 H 0.6675 0.3957 0.0400 0.038 Uiso 1 1 calc R U . . .
C3 C 0.5780(2) 0.2695(3) 0.0722(2) 0.0385(7) Uani 1 1 d . . . . .
H3 H 0.5505 0.2487 0.0181 0.046 Uiso 1 1 calc R U . . .
C4 C 0.5610(2) 0.2248(2) 0.1545(3) 0.0396(8) Uani 1 1 d . . . . .
H4 H 0.5194 0.1691 0.1655 0.048 Uiso 1 1 calc R U . . .
C5 C 0.61636(19) 0.2771(2) 0.2181(2) 0.0316(6) Uani 1 1 d . . . . .
H5 H 0.6186 0.2621 0.2789 0.038 Uiso 1 1 calc R U . . .
C6 C 0.43802(19) 0.4388(2) 0.24920(19) 0.0273(6) Uani 1 1 d . . . . .
C7 C 0.49036(19) 0.5174(2) 0.2055(2) 0.0294(6) Uani 1 1 d . . . . .
H7 H 0.5321 0.5649 0.2329 0.035 Uiso 1 1 calc R U . . .
C8 C 0.4697(2) 0.5128(2) 0.1148(2) 0.0329(6) Uani 1 1 d . . . . .
H8 H 0.4950 0.5564 0.0711 0.040 Uiso 1 1 calc R U . . .
C9 C 0.4043(2) 0.4314(3) 0.1008(2) 0.0336(7) Uani 1 1 d . . . . .
H9 H 0.3783 0.4110 0.0459 0.040 Uiso 1 1 calc R U . . .
C10 C 0.38451(19) 0.3859(2) 0.1831(2) 0.0301(6) Uani 1 1 d . . . . .
H10 H 0.3429 0.3299 0.1926 0.036 Uiso 1 1 calc R U . . .
C11 C 0.88577(19) 0.3826(2) 0.2178(2) 0.0292(6) Uani 1 1 d . . . . .
C12 C 0.9620(2) 0.3980(3) 0.2745(2) 0.0400(7) Uani 1 1 d . . . . .
H12 H 0.9568 0.4466 0.3205 0.048 Uiso 1 1 calc R U . . .
C13 C 1.0453(2) 0.3436(3) 0.2650(3) 0.0468(9) Uani 1 1 d . . . . .
H13 H 1.0967 0.3550 0.3042 0.056 Uiso 1 1 calc R U . . .
C14 C 1.0536(2) 0.2733(3) 0.1988(3) 0.0470(9) Uani 1 1 d . . . . .
H14 H 1.1106 0.2354 0.1927 0.056 Uiso 1 1 calc R U . . .
C15 C 0.9793(2) 0.2573(3) 0.1410(3) 0.0452(8) Uani 1 1 d . . . . .
H15 H 0.9854 0.2092 0.0947 0.054 Uiso 1 1 calc R U . . .
C16 C 0.8957(2) 0.3119(3) 0.1509(2) 0.0382(7) Uani 1 1 d . . . . .
H16 H 0.8447 0.3005 0.1113 0.046 Uiso 1 1 calc R U . . .
C17 C 0.76256(19) 0.5747(2) 0.1399(2) 0.0289(6) Uani 1 1 d . . . . .
C18 C 0.8220(2) 0.5661(2) 0.0690(2) 0.0347(7) Uani 1 1 d . . . . .
H18 H 0.8591 0.5060 0.0618 0.042 Uiso 1 1 calc R U . . .
C19 C 0.8277(2) 0.6452(3) 0.0082(2) 0.0421(8) Uani 1 1 d . . . . .
H19 H 0.8689 0.6389 -0.0402 0.051 Uiso 1 1 calc R U . . .
C20 C 0.7739(2) 0.7324(3) 0.0176(2) 0.0425(8) Uani 1 1 d . . . . .
H20 H 0.7790 0.7869 -0.0233 0.051 Uiso 1 1 calc R U . . .
C21 C 0.7125(2) 0.7404(3) 0.0868(2) 0.0416(8) Uani 1 1 d . . . . .
H21 H 0.6735 0.7993 0.0923 0.050 Uiso 1 1 calc R U . . .
C22 C 0.7076(2) 0.6633(2) 0.1478(2) 0.0367(7) Uani 1 1 d . . . . .
H22 H 0.6664 0.6703 0.1961 0.044 Uiso 1 1 calc R U . . .
C23 C 0.3094(2) 0.4780(2) 0.41352(19) 0.0310(6) Uani 1 1 d . . . . .
C24 C 0.2616(2) 0.5365(2) 0.3517(2) 0.0331(6) Uani 1 1 d . . . . .
H24 H 0.2912 0.5523 0.2978 0.040 Uiso 1 1 calc R U . . .
C25 C 0.1710(2) 0.5723(3) 0.3676(2) 0.0396(7) Uani 1 1 d . . . . .
H25 H 0.1393 0.6131 0.3250 0.048 Uiso 1 1 calc R U . . .
C26 C 0.1267(2) 0.5486(3) 0.4455(2) 0.0383(7) Uani 1 1 d . . . . .
H26 H 0.0643 0.5722 0.4561 0.046 Uiso 1 1 calc R U . . .
C27 C 0.1735(2) 0.4907(3) 0.5070(2) 0.0417(8) Uani 1 1 d . . . . .
H27 H 0.1432 0.4736 0.5602 0.050 Uiso 1 1 calc R U . . .
C28 C 0.2649(2) 0.4569(3) 0.4919(2) 0.0406(8) Uani 1 1 d . . . . .
H28 H 0.2974 0.4188 0.5358 0.049 Uiso 1 1 calc R U . . .
C29 C 0.3882(2) 0.2584(2) 0.37840(19) 0.0300(6) Uani 1 1 d . . . . .
C30 C 0.2919(2) 0.2389(3) 0.3680(2) 0.0357(7) Uani 1 1 d . . . . .
H30 H 0.2487 0.2946 0.3650 0.043 Uiso 1 1 calc R U . . .
C31 C 0.2583(2) 0.1392(3) 0.3621(2) 0.0382(7) Uani 1 1 d . . . . .
H31 H 0.1924 0.1268 0.3557 0.046 Uiso 1 1 calc R U . . .
C32 C 0.3208(2) 0.0585(3) 0.3654(2) 0.0413(8) Uani 1 1 d . . . . .
H32 H 0.2979 -0.0098 0.3605 0.050 Uiso 1 1 calc R U . . .
C33 C 0.4160(2) 0.0760(3) 0.3759(2) 0.0424(8) Uani 1 1 d . . . . .
H33 H 0.4587 0.0198 0.3781 0.051 Uiso 1 1 calc R U . . .
C34 C 0.4498(2) 0.1754(3) 0.3831(2) 0.0352(7) Uani 1 1 d . . . . .
H34 H 0.5156 0.1869 0.3913 0.042 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'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 '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
C1 Sb1 C17 96.79(11) . . ?
C1 Sb1 C11 95.10(11) . . ?
C17 Sb1 C11 98.68(11) . . ?
C6 Sb2 C29 95.32(11) . . ?
C6 Sb2 C23 95.16(11) . . ?
C29 Sb2 C23 93.03(11) . . ?
C7 Fe C4 159.73(14) . . ?
C7 Fe C9 68.38(12) . . ?
C4 Fe C9 122.26(13) . . ?
C7 Fe C2 123.08(12) . . ?
C4 Fe C2 68.58(13) . . ?
C9 Fe C2 121.11(12) . . ?
C7 Fe C5 124.05(13) . . ?
C4 Fe C5 40.58(13) . . ?
C9 Fe C5 159.20(12) . . ?
C2 Fe C5 68.56(12) . . ?
C7 Fe C8 40.54(12) . . ?
C4 Fe C8 158.25(14) . . ?
C9 Fe C8 40.75(12) . . ?
C2 Fe C8 106.50(12) . . ?
C5 Fe C8 159.26(12) . . ?
C7 Fe C10 68.49(12) . . ?
C4 Fe C10 107.35(12) . . ?
C9 Fe C10 40.70(12) . . ?
C2 Fe C10 157.22(12) . . ?
C5 Fe C10 123.84(12) . . ?
C8 Fe C10 68.53(12) . . ?
C7 Fe C3 158.98(13) . . ?
C4 Fe C3 40.32(14) . . ?
C9 Fe C3 106.13(13) . . ?
C2 Fe C3 41.01(12) . . ?
C5 Fe C3 68.15(14) . . ?
C8 Fe C3 122.20(14) . . ?
C10 Fe C3 121.43(12) . . ?
C7 Fe C1 108.20(12) . . ?
C4 Fe C1 68.73(12) . . ?
C9 Fe C1 157.66(12) . . ?
C2 Fe C1 40.85(12) . . ?
C5 Fe C1 40.93(11) . . ?
C8 Fe C1 122.27(12) . . ?
C10 Fe C1 160.53(12) . . ?
C3 Fe C1 68.73(12) . . ?
C7 Fe C6 40.99(11) . . ?
C4 Fe C6 122.90(13) . . ?
C9 Fe C6 68.89(12) . . ?
C2 Fe C6 160.02(12) . . ?
C5 Fe C6 108.47(12) . . ?
C8 Fe C6 68.90(12) . . ?
C10 Fe C6 40.94(11) . . ?
C3 Fe C6 157.95(12) . . ?
C1 Fe C6 123.97(11) . . ?
C2 C1 C5 107.2(3) . . ?
C2 C1 Fe 69.31(15) . . ?
C5 C1 Fe 69.29(16) . . ?
C2 C1 Sb1 129.4(2) . . ?
C5 C1 Sb1 123.2(2) . . ?
Fe C1 Sb1 123.15(14) . . ?
C1 C2 C3 107.9(3) . . ?
C1 C2 Fe 69.84(16) . . ?
C3 C2 Fe 69.75(17) . . ?
C1 C2 H2 126.0 . . ?
C3 C2 H2 126.0 . . ?
Fe C2 H2 125.9 . . ?
C4 C3 C2 108.0(3) . . ?
C4 C3 Fe 69.56(18) . . ?
C2 C3 Fe 69.24(17) . . ?
C4 C3 H3 126.0 . . ?
C2 C3 H3 126.0 . . ?
Fe C3 H3 126.8 . . ?
C3 C4 C5 108.4(3) . . ?
C3 C4 Fe 70.12(18) . . ?
C5 C4 Fe 69.74(17) . . ?
C3 C4 H4 125.8 . . ?
C5 C4 H4 125.8 . . ?
Fe C4 H4 125.9 . . ?
C4 C5 C1 108.4(3) . . ?
C4 C5 Fe 69.67(18) . . ?
C1 C5 Fe 69.78(16) . . ?
C4 C5 H5 125.8 . . ?
C1 C5 H5 125.8 . . ?
Fe C5 H5 126.3 . . ?
C7 C6 C10 106.6(3) . . ?
C7 C6 Fe 69.03(16) . . ?
C10 C6 Fe 69.23(16) . . ?
C7 C6 Sb2 124.3(2) . . ?
C10 C6 Sb2 129.1(2) . . ?
Fe C6 Sb2 125.84(13) . . ?
C8 C7 C6 108.9(3) . . ?
C8 C7 Fe 69.84(17) . . ?
C6 C7 Fe 69.97(16) . . ?
C8 C7 H7 125.6 . . ?
C6 C7 H7 125.6 . . ?
Fe C7 H7 126.2 . . ?
C7 C8 C9 107.9(3) . . ?
C7 C8 Fe 69.62(17) . . ?
C9 C8 Fe 69.59(17) . . ?
C7 C8 H8 126.0 . . ?
C9 C8 H8 126.0 . . ?
Fe C8 H8 126.3 . . ?
C10 C9 C8 108.1(3) . . ?
C10 C9 Fe 69.75(16) . . ?
C8 C9 Fe 69.66(17) . . ?
C10 C9 H9 126.0 . . ?
C8 C9 H9 126.0 . . ?
Fe C9 H9 126.2 . . ?
C9 C10 C6 108.5(3) . . ?
C9 C10 Fe 69.54(16) . . ?
C6 C10 Fe 69.82(15) . . ?
C9 C10 H10 125.8 . . ?
C6 C10 H10 125.8 . . ?
Fe C10 H10 126.4 . . ?
C16 C11 C12 118.2(3) . . ?
C16 C11 Sb1 123.2(2) . . ?
C12 C11 Sb1 118.5(2) . . ?
C13 C12 C11 121.0(3) . . ?
C13 C12 H12 119.5 . . ?
C11 C12 H12 119.5 . . ?
C14 C13 C12 120.0(3) . . ?
C14 C13 H13 120.0 . . ?
C12 C13 H13 120.0 . . ?
C13 C14 C15 120.2(3) . . ?
C13 C14 H14 119.9 . . ?
C15 C14 H14 119.9 . . ?
C14 C15 C16 119.7(3) . . ?
C14 C15 H15 120.2 . . ?
C16 C15 H15 120.2 . . ?
C11 C16 C15 121.0(3) . . ?
C11 C16 H16 119.5 . . ?
C15 C16 H16 119.5 . . ?
C18 C17 C22 118.5(3) . . ?
C18 C17 Sb1 123.7(2) . . ?
C22 C17 Sb1 117.8(2) . . ?
C17 C18 C19 120.3(3) . . ?
C17 C18 H18 119.8 . . ?
C19 C18 H18 119.8 . . ?
C20 C19 C18 120.4(3) . . ?
C20 C19 H19 119.8 . . ?
C18 C19 H19 119.8 . . ?
C19 C20 C21 119.7(3) . . ?
C19 C20 H20 120.1 . . ?
C21 C20 H20 120.1 . . ?
C22 C21 C20 120.1(3) . . ?
C22 C21 H21 119.9 . . ?
C20 C21 H21 119.9 . . ?
C21 C22 C17 120.9(3) . . ?
C21 C22 H22 119.5 . . ?
C17 C22 H22 119.5 . . ?
C24 C23 C28 118.4(3) . . ?
C24 C23 Sb2 121.3(2) . . ?
C28 C23 Sb2 120.1(2) . . ?
C23 C24 C25 120.7(3) . . ?
C23 C24 H24 119.7 . . ?
C25 C24 H24 119.7 . . ?
C26 C25 C24 120.2(3) . . ?
C26 C25 H25 119.9 . . ?
C24 C25 H25 119.9 . . ?
C27 C26 C25 119.5(3) . . ?
C27 C26 H26 120.3 . . ?
C25 C26 H26 120.3 . . ?
C26 C27 C28 120.3(3) . . ?
C26 C27 H27 119.8 . . ?
C28 C27 H27 119.8 . . ?
C23 C28 C27 120.8(3) . . ?
C23 C28 H28 119.6 . . ?
C27 C28 H28 119.6 . . ?
C34 C29 C30 118.4(3) . . ?
C34 C29 Sb2 118.9(2) . . ?
C30 C29 Sb2 122.8(2) . . ?
C31 C30 C29 120.9(3) . . ?
C31 C30 H30 119.6 . . ?
C29 C30 H30 119.6 . . ?
C32 C31 C30 119.7(3) . . ?
C32 C31 H31 120.2 . . ?
C30 C31 H31 120.2 . . ?
C33 C32 C31 120.4(3) . . ?
C33 C32 H32 119.8 . . ?
C31 C32 H32 119.8 . . ?
C32 C33 C34 120.2(3) . . ?
C32 C33 H33 119.9 . . ?
C34 C33 H33 119.9 . . ?
C33 C34 C29 120.5(3) . . ?
C33 C34 H34 119.8 . . ?
C29 C34 H34 119.8 . . ?
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
Sb1 C1 2.117(3) . ?
Sb1 C17 2.148(3) . ?
Sb1 C11 2.159(3) . ?
Sb2 C6 2.124(3) . ?
Sb2 C29 2.144(3) . ?
Sb2 C23 2.155(3) . ?
Fe C7 2.041(3) . ?
Fe C4 2.043(3) . ?
Fe C9 2.043(3) . ?
Fe C2 2.043(3) . ?
Fe C5 2.043(3) . ?
Fe C8 2.044(3) . ?
Fe C10 2.046(3) . ?
Fe C3 2.050(3) . ?
Fe C1 2.050(3) . ?
Fe C6 2.054(3) . ?
C1 C2 1.428(4) . ?
C1 C5 1.431(4) . ?
C2 C3 1.434(4) . ?
C2 H2 0.9500 . ?
C3 C4 1.411(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.417(5) . ?
C4 H4 0.9500 . ?
C5 H5 0.9500 . ?
C6 C7 1.434(4) . ?
C6 C10 1.434(4) . ?
C7 C8 1.415(4) . ?
C7 H7 0.9500 . ?
C8 C9 1.423(4) . ?
C8 H8 0.9500 . ?
C9 C10 1.422(4) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C11 C16 1.384(4) . ?
C11 C12 1.392(4) . ?
C12 C13 1.385(5) . ?
C12 H12 0.9500 . ?
C13 C14 1.370(5) . ?
C13 H13 0.9500 . ?
C14 C15 1.383(5) . ?
C14 H14 0.9500 . ?
C15 C16 1.390(5) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C17 C18 1.383(4) . ?
C17 C22 1.398(4) . ?
C18 C19 1.391(5) . ?
C18 H18 0.9500 . ?
C19 C20 1.376(5) . ?
C19 H19 0.9500 . ?
C20 C21 1.380(5) . ?
C20 H20 0.9500 . ?
C21 C22 1.373(5) . ?
C21 H21 0.9500 . ?
C22 H22 0.9500 . ?
C23 C24 1.386(4) . ?
C23 C28 1.387(4) . ?
C24 C25 1.388(4) . ?
C24 H24 0.9500 . ?
C25 C26 1.386(5) . ?
C25 H25 0.9500 . ?
C26 C27 1.371(5) . ?
C26 H26 0.9500 . ?
C27 C28 1.388(5) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
C29 C34 1.391(4) . ?
C29 C30 1.393(4) . ?
C30 C31 1.385(5) . ?
C30 H30 0.9500 . ?
C31 C32 1.374(5) . ?
C31 H31 0.9500 . ?
C32 C33 1.374(5) . ?
C32 H32 0.9500 . ?
C33 C34 1.384(5) . ?
C33 H33 0.9500 . ?
C34 H34 0.9500 . ?
