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#$Date: 2021-10-13 01:55:19 +0300 (Wed, 13 Oct 2021) $
#$Revision: 269903 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/85/7708544.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_7708544
loop_
_publ_author_name
'Poirot, Alexandre'
'Vanucci-Bacqué, Corinne'
'Delavaux-Nicot, Béatrice'
'Leygue, Nadine'
'Saffon-Merceron, Nathalie'
'Alary, Fabienne'
'Bedos-Belval, Florence'
'Benoist, Eric'
'Fery-Forgues, Suzanne'
_publ_section_title
;
 Phenyl-pyta-tricarbonylrhenium(I) complexes: combining a simplified
 structure and steric hindrance to modulate the photoluminescence
 properties.
;
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_paper_doi               10.1039/d1dt02161c
_journal_year                    2021
_chemical_formula_sum            'C32 H20 Cl2 N8 O6 Re2'
_chemical_formula_weight         1055.86
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     'dual space'
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-06-11 deposited with the CCDC.	2021-09-02 downloaded from the CCDC.
;
_cell_angle_alpha                89.948(4)
_cell_angle_beta                 76.460(4)
_cell_angle_gamma                73.825(4)
_cell_formula_units_Z            2
_cell_length_a                   10.8275(13)
_cell_length_b                   12.8483(16)
_cell_length_c                   13.1018(18)
_cell_measurement_reflns_used    3751
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      23.86
_cell_measurement_theta_min      2.95
_cell_volume                     1697.8(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/4 (Sheldrick, 2014)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker kappa APEX-II CCD Quazar'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1083
_diffrn_reflns_av_unetI/netI     0.0939
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_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       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            35952
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.371
_diffrn_reflns_theta_min         2.868
_diffrn_source                   'Incoatec microfocus sealed tube'
_exptl_absorpt_coefficient_mu    7.337
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_correction_T_min  0.6386
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker-AXS)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.065
_exptl_crystal_description       plate
_exptl_crystal_F_000             1000
_exptl_crystal_size_max          0.060
_exptl_crystal_size_mid          0.020
_exptl_crystal_size_min          0.020
_refine_diff_density_max         1.264
_refine_diff_density_min         -1.657
_refine_diff_density_rms         0.235
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     451
_refine_ls_number_reflns         6908
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0888
_refine_ls_R_factor_gt           0.0435
_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)+(0.0294P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0744
_refine_ls_wR_factor_ref         0.0901
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4405
_reflns_number_total             6908
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt02161c2.cif
_cod_data_source_block           1
_cod_database_code               7708544
_shelx_shelxl_version_number     2018/3
_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   0.667
_shelx_estimated_absorpt_t_max   0.867
loop_
_space_group_symop_operation_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_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
Re1 Re 0.65028(4) 0.50257(3) 0.75788(3) 0.02281(11) Uani 1 1 d . . . . .
Re2 Re 0.70625(4) 0.97836(3) 0.25073(3) 0.02242(11) Uani 1 1 d . . . . .
Cl1 Cl 0.8690(2) 0.36398(19) 0.71643(19) 0.0323(6) Uani 1 1 d . . . . .
Cl2 Cl 0.6111(2) 0.83766(19) 0.19998(19) 0.0335(6) Uani 1 1 d . . . . .
O1 O 0.5505(7) 0.3748(6) 0.9423(5) 0.052(2) Uani 1 1 d . U . . .
O2 O 0.7210(7) 0.6459(6) 0.9097(5) 0.048(2) Uani 1 1 d . . . . .
O3 O 0.3758(7) 0.6663(6) 0.8039(6) 0.046(2) Uani 1 1 d . . . . .
O4 O 0.8185(7) 0.8460(5) 0.4184(5) 0.0448(19) Uani 1 1 d . . . . .
O5 O 0.4549(7) 1.0936(6) 0.4160(6) 0.0466(19) Uani 1 1 d . . . . .
O6 O 0.8382(7) 1.1432(6) 0.3093(6) 0.0442(19) Uani 1 1 d . . . . .
N1 N 0.6134(7) 0.4106(6) 0.6323(6) 0.0251(18) Uani 1 1 d . . . . .
N2 N 0.7351(6) 0.5616(5) 0.6125(6) 0.0218(17) Uani 1 1 d . . . . .
N3 N 0.8123(7) 0.6320(6) 0.5903(6) 0.0288(19) Uani 1 1 d . . . . .
N4 N 0.8161(7) 0.5432(6) 0.4440(6) 0.0225(17) Uani 1 1 d . . . . .
N5 N 0.8725(7) 0.9003(5) 0.1179(6) 0.0235(18) Uani 1 1 d . . . . .
N6 N 0.6527(7) 1.0512(6) 0.1130(6) 0.0218(17) Uani 1 1 d . . . . .
N7 N 0.5418(7) 1.1244(6) 0.0964(6) 0.0272(18) Uani 1 1 d . . . . .
N8 N 0.6817(7) 1.0564(5) -0.0573(6) 0.0202(16) Uani 1 1 d . . . . .
C1 C 0.5860(9) 0.4236(8) 0.8746(8) 0.034(2) Uani 1 1 d . . . . .
C2 C 0.6971(9) 0.5901(8) 0.8510(8) 0.035(2) Uani 1 1 d . . . . .
C3 C 0.4821(10) 0.6026(8) 0.7833(7) 0.030(2) Uani 1 1 d . . . . .
C4 C 0.5459(8) 0.3376(7) 0.6466(7) 0.028(2) Uani 1 1 d . . . . .
H4 H 0.510856 0.322580 0.716678 0.034 Uiso 1 1 calc R U . . .
C5 C 0.5239(9) 0.2824(7) 0.5655(7) 0.031(2) Uani 1 1 d . . . . .
H5 H 0.475994 0.230136 0.579738 0.037 Uiso 1 1 calc R U . . .
C6 C 0.5727(8) 0.3046(7) 0.4632(7) 0.029(2) Uani 1 1 d . . . . .
H6 H 0.556229 0.269582 0.406112 0.035 Uiso 1 1 calc R U . . .
C7 C 0.6455(8) 0.3780(7) 0.4450(7) 0.023(2) Uani 1 1 d . . . . .
H7 H 0.682442 0.393026 0.375313 0.028 Uiso 1 1 calc R U . . .
C8 C 0.6636(8) 0.4297(7) 0.5313(7) 0.021(2) Uani 1 1 d . . . . .
C9 C 0.7373(9) 0.5096(7) 0.5259(7) 0.025(2) Uani 1 1 d . . . . .
C10 C 0.8584(9) 0.6199(7) 0.4890(7) 0.027(2) Uani 1 1 d . . . . .
H10 H 0.914454 0.658995 0.450438 0.032 Uiso 1 1 calc R U . . .
C11 C 0.8521(8) 0.5108(8) 0.3318(7) 0.022(2) Uani 1 1 d . . . . .
C12 C 0.9341(9) 0.4094(8) 0.2977(8) 0.037(3) Uani 1 1 d . . . . .
H12 H 0.967792 0.360819 0.345930 0.045 Uiso 1 1 calc R U . . .
C13 C 0.9669(10) 0.3788(8) 0.1926(9) 0.042(3) Uani 1 1 d . . . . .
H13 H 1.022609 0.307999 0.167351 0.051 Uiso 1 1 calc R U . . .
C14 C 0.9192(11) 0.4509(10) 0.1231(9) 0.053(3) Uani 1 1 d . . . . .
H14 H 0.942784 0.429492 0.050155 0.063 Uiso 1 1 calc R U . . .
C15 C 0.8380(10) 0.5531(8) 0.1585(8) 0.039(3) Uani 1 1 d . U . . .
H15 H 0.804371 0.602432 0.110760 0.047 Uiso 1 1 calc R U . . .
C16 C 0.8058(9) 0.5831(8) 0.2649(7) 0.032(2) Uani 1 1 d . . . . .
H16 H 0.751469 0.654082 0.290837 0.038 Uiso 1 1 calc R U . . .
C17 C 0.7721(9) 0.8956(8) 0.3567(7) 0.033(2) Uani 1 1 d . . . . .
C18 C 0.5495(10) 1.0499(8) 0.3538(7) 0.027(2) Uani 1 1 d . . . . .
C19 C 0.7873(9) 1.0824(7) 0.2846(7) 0.027(2) Uani 1 1 d . . . . .
C20 C 0.9833(9) 0.8277(7) 0.1265(7) 0.028(2) Uani 1 1 d . . . . .
H20 H 0.990438 0.805599 0.194656 0.033 Uiso 1 1 calc R U . . .
C21 C 1.0870(9) 0.7832(7) 0.0436(8) 0.030(2) Uani 1 1 d . . . . .
H21 H 1.162661 0.729288 0.053632 0.036 Uiso 1 1 calc R U . . .
C22 C 1.0810(9) 0.8174(7) -0.0561(7) 0.030(2) Uani 1 1 d . . . . .
H22 H 1.153817 0.790063 -0.115036 0.035 Uiso 1 1 calc R U . . .
C23 C 0.9668(8) 0.8920(7) -0.0670(7) 0.025(2) Uani 1 1 d . . . . .
H23 H 0.959622 0.916269 -0.134485 0.030 Uiso 1 1 calc R U . . .
C24 C 0.8624(9) 0.9317(7) 0.0197(7) 0.022(2) Uani 1 1 d . . . . .
C25 C 0.7352(9) 1.0118(7) 0.0225(7) 0.024(2) Uani 1 1 d . . . . .
C26 C 0.5625(9) 1.1274(8) -0.0064(7) 0.031(2) Uani 1 1 d . . . . .
H26 H 0.502284 1.173067 -0.041158 0.037 Uiso 1 1 calc R U . . .
C27 C 0.7331(8) 1.0346(7) -0.1689(7) 0.024(2) Uani 1 1 d . . . . .
C28 C 0.7449(9) 0.9340(8) -0.2147(7) 0.032(2) Uani 1 1 d . . . . .
H28 H 0.717391 0.880278 -0.172909 0.038 Uiso 1 1 calc R U . . .
C29 C 0.7974(9) 0.9126(9) -0.3220(8) 0.039(3) Uani 1 1 d . . . . .
H29 H 0.806679 0.844043 -0.354819 0.047 Uiso 1 1 calc R U . . .
C30 C 0.8359(10) 0.9925(9) -0.3808(8) 0.044(3) Uani 1 1 d . . . . .
H30 H 0.872717 0.978081 -0.454399 0.052 Uiso 1 1 calc R U . . .
C31 C 0.8218(10) 1.0937(9) -0.3340(8) 0.045(3) Uani 1 1 d . . . . .
H31 H 0.848227 1.147974 -0.375642 0.054 Uiso 1 1 calc R U . . .
C32 C 0.7703(9) 1.1148(8) -0.2286(7) 0.030(2) Uani 1 1 d . . . . .
H32 H 0.759826 1.183876 -0.196190 0.036 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'
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Re Re -1.0185 7.2310 '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
C3 Re1 C2 89.0(4) . . ?
C3 Re1 C1 89.5(4) . . ?
C2 Re1 C1 90.1(4) . . ?
C3 Re1 N2 97.2(3) . . ?
C2 Re1 N2 98.1(3) . . ?
C1 Re1 N2 169.5(3) . . ?
C3 Re1 N1 93.0(3) . . ?
C2 Re1 N1 171.9(3) . . ?
C1 Re1 N1 97.7(3) . . ?
N2 Re1 N1 73.9(3) . . ?
C3 Re1 Cl1 176.5(3) . . ?
C2 Re1 Cl1 94.5(3) . . ?
C1 Re1 Cl1 90.7(3) . . ?
N2 Re1 Cl1 82.09(18) . . ?
N1 Re1 Cl1 83.53(19) . . ?
C19 Re2 C17 87.0(4) . . ?
C19 Re2 C18 89.5(4) . . ?
C17 Re2 C18 89.3(4) . . ?
C19 Re2 N6 96.7(3) . . ?
C17 Re2 N6 170.8(3) . . ?
C18 Re2 N6 99.1(3) . . ?
C19 Re2 N5 93.9(3) . . ?
C17 Re2 N5 97.0(3) . . ?
C18 Re2 N5 173.1(3) . . ?
N6 Re2 N5 74.5(3) . . ?
C19 Re2 Cl2 177.1(3) . . ?
C17 Re2 Cl2 92.9(3) . . ?
C18 Re2 Cl2 93.5(3) . . ?
N6 Re2 Cl2 82.94(18) . . ?
N5 Re2 Cl2 83.23(18) . . ?
C4 N1 C8 116.9(7) . . ?
C4 N1 Re1 125.6(6) . . ?
C8 N1 Re1 117.5(5) . . ?
C9 N2 N3 110.3(7) . . ?
C9 N2 Re1 116.5(6) . . ?
N3 N2 Re1 131.8(5) . . ?
C10 N3 N2 104.8(7) . . ?
C9 N4 C10 104.7(7) . . ?
C9 N4 C11 130.5(7) . . ?
C10 N4 C11 124.8(7) . . ?
C20 N5 C24 118.0(8) . . ?
C20 N5 Re2 124.7(6) . . ?
C24 N5 Re2 117.3(6) . . ?
C25 N6 N7 109.6(7) . . ?
C25 N6 Re2 116.2(6) . . ?
N7 N6 Re2 133.8(6) . . ?
C26 N7 N6 105.2(7) . . ?
C25 N8 C26 103.7(7) . . ?
C25 N8 C27 129.4(7) . . ?
C26 N8 C27 126.8(7) . . ?
O1 C1 Re1 178.3(9) . . ?
O2 C2 Re1 177.5(9) . . ?
O3 C3 Re1 177.1(8) . . ?
N1 C4 C5 123.8(9) . . ?
N1 C4 H4 118.1 . . ?
C5 C4 H4 118.1 . . ?
C4 C5 C6 118.7(8) . . ?
C4 C5 H5 120.7 . . ?
C6 C5 H5 120.7 . . ?
C7 C6 C5 119.3(8) . . ?
C7 C6 H6 120.4 . . ?
C5 C6 H6 120.4 . . ?
C6 C7 C8 118.3(8) . . ?
C6 C7 H7 120.9 . . ?
C8 C7 H7 120.9 . . ?
N1 C8 C7 123.1(7) . . ?
N1 C8 C9 111.7(7) . . ?
C7 C8 C9 125.3(8) . . ?
N2 C9 N4 108.4(7) . . ?
N2 C9 C8 119.6(8) . . ?
N4 C9 C8 132.0(8) . . ?
N3 C10 N4 111.8(8) . . ?
N3 C10 H10 124.1 . . ?
N4 C10 H10 124.1 . . ?
C16 C11 C12 122.2(9) . . ?
C16 C11 N4 119.0(8) . . ?
C12 C11 N4 118.8(8) . . ?
C11 C12 C13 118.7(9) . . ?
C11 C12 H12 120.7 . . ?
C13 C12 H12 120.7 . . ?
C12 C13 C14 120.0(10) . . ?
C12 C13 H13 120.0 . . ?
C14 C13 H13 120.0 . . ?
C15 C14 C13 120.6(10) . . ?
C15 C14 H14 119.7 . . ?
C13 C14 H14 119.7 . . ?
C14 C15 C16 118.8(10) . . ?
C14 C15 H15 120.6 . . ?
C16 C15 H15 120.6 . . ?
C11 C16 C15 119.7(9) . . ?
C11 C16 H16 120.2 . . ?
C15 C16 H16 120.2 . . ?
O4 C17 Re2 176.4(9) . . ?
O5 C18 Re2 179.7(9) . . ?
O6 C19 Re2 176.7(8) . . ?
N5 C20 C21 123.7(9) . . ?
N5 C20 H20 118.1 . . ?
C21 C20 H20 118.1 . . ?
C20 C21 C22 119.2(9) . . ?
C20 C21 H21 120.4 . . ?
C22 C21 H21 120.4 . . ?
C23 C22 C21 118.1(9) . . ?
C23 C22 H22 120.9 . . ?
C21 C22 H22 120.9 . . ?
C22 C23 C24 120.2(9) . . ?
C22 C23 H23 119.9 . . ?
C24 C23 H23 119.9 . . ?
N5 C24 C23 120.7(8) . . ?
N5 C24 C25 111.9(8) . . ?
C23 C24 C25 127.3(8) . . ?
N6 C25 N8 109.6(8) . . ?
N6 C25 C24 119.8(8) . . ?
N8 C25 C24 130.5(8) . . ?
N7 C26 N8 111.8(8) . . ?
N7 C26 H26 124.1 . . ?
N8 C26 H26 124.1 . . ?
C32 C27 C28 121.3(9) . . ?
C32 C27 N8 119.1(8) . . ?
C28 C27 N8 119.6(8) . . ?
C29 C28 C27 119.3(9) . . ?
C29 C28 H28 120.4 . . ?
C27 C28 H28 120.4 . . ?
C30 C29 C28 119.1(9) . . ?
C30 C29 H29 120.5 . . ?
C28 C29 H29 120.5 . . ?
C29 C30 C31 121.1(10) . . ?
C29 C30 H30 119.4 . . ?
C31 C30 H30 119.4 . . ?
C32 C31 C30 119.9(10) . . ?
C32 C31 H31 120.1 . . ?
C30 C31 H31 120.1 . . ?
C31 C32 C27 119.3(9) . . ?
C31 C32 H32 120.3 . . ?
C27 C32 H32 120.3 . . ?
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
Re1 C3 1.869(10) . ?
Re1 C2 1.902(11) . ?
Re1 C1 1.935(10) . ?
Re1 N2 2.147(7) . ?
Re1 N1 2.200(7) . ?
Re1 Cl1 2.474(2) . ?
Re2 C19 1.895(10) . ?
Re2 C17 1.899(10) . ?
Re2 C18 1.900(10) . ?
Re2 N6 2.157(7) . ?
Re2 N5 2.191(7) . ?
Re2 Cl2 2.476(2) . ?
O1 C1 1.140(11) . ?
O2 C2 1.171(11) . ?
O3 C3 1.182(10) . ?
O4 C17 1.150(10) . ?
O5 C18 1.148(10) . ?
O6 C19 1.159(10) . ?
N1 C4 1.328(10) . ?
N1 C8 1.358(10) . ?
N2 C9 1.309(10) . ?
N2 N3 1.382(9) . ?
N3 C10 1.297(11) . ?
N4 C9 1.357(10) . ?
N4 C10 1.380(10) . ?
N4 C11 1.459(10) . ?
N5 C20 1.328(10) . ?
N5 C24 1.367(10) . ?
N6 C25 1.309(10) . ?
N6 N7 1.366(9) . ?
N7 C26 1.314(11) . ?
N8 C25 1.362(10) . ?
N8 C26 1.373(11) . ?
N8 C27 1.434(10) . ?
C4 C5 1.379(12) . ?
C4 H4 0.9500 . ?
C5 C6 1.381(12) . ?
C5 H5 0.9500 . ?
C6 C7 1.376(11) . ?
C6 H6 0.9500 . ?
C7 C8 1.390(11) . ?
C7 H7 0.9500 . ?
C8 C9 1.459(11) . ?
C10 H10 0.9500 . ?
C11 C16 1.351(12) . ?
C11 C12 1.362(12) . ?
C12 C13 1.368(13) . ?
C12 H12 0.9500 . ?
C13 C14 1.380(15) . ?
C13 H13 0.9500 . ?
C14 C15 1.371(14) . ?
C14 H14 0.9500 . ?
C15 C16 1.383(12) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C20 C21 1.356(12) . ?
C20 H20 0.9500 . ?
C21 C22 1.387(12) . ?
C21 H21 0.9500 . ?
C22 C23 1.376(11) . ?
C22 H22 0.9500 . ?
C23 C24 1.381(12) . ?
C23 H23 0.9500 . ?
C24 C25 1.465(11) . ?
C26 H26 0.9500 . ?
C27 C32 1.385(11) . ?
C27 C28 1.386(12) . ?
C28 C29 1.384(12) . ?
C28 H28 0.9500 . ?
C29 C30 1.380(14) . ?
C29 H29 0.9500 . ?
C30 C31 1.392(13) . ?
C30 H30 0.9500 . ?
C31 C32 1.359(13) . ?
C31 H31 0.9500 . ?
C32 H32 0.9500 . ?
