#------------------------------------------------------------------------------
#$Date: 2023-09-05 00:56:22 +0300 (Tue, 05 Sep 2023) $
#$Revision: 285991 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/20/7132098.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_7132098
loop_
_publ_author_name
'Liu, Chuan-Zhi'
'Wang, Jingjing'
'Yang, Bo'
'Li, Zhongyi'
'Yan, Meng'
'Liu, Xinming'
'Hu, Zhiyuan'
'Liu, Lantao'
'Li, Zhan-Ting'
_publ_section_title
;
 Two and Three-Dimensional Halogen-Bonded Frameworks: Self-assembly
 Influenced by Crystallization Solvents
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/D3CC02981F
_journal_year                    2023
_chemical_formula_sum            'C66 H48 Cl3 F8 I4 N4'
_chemical_formula_weight         1663.03
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_block_doi                 10.5517/ccdc.csd.cc2fwx08
_audit_creation_method           SHELXL-97
_audit_update_record
;
2023-08-10 deposited with the CCDC.	2023-09-04 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 114.914(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.123(4)
_cell_length_b                   43.843(14)
_cell_length_c                   13.393(4)
_cell_measurement_reflns_used    6733
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.81
_cell_measurement_theta_min      2.21
_cell_volume                     6989(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-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker APEX-II 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  0.0319
_diffrn_reflns_av_sigmaI/netI    0.0365
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       52
_diffrn_reflns_limit_k_min       -50
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            16395
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.21
_exptl_absorpt_coefficient_mu    1.959
_exptl_absorpt_correction_T_max  0.6837
_exptl_absorpt_correction_T_min  0.6004
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.581
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3228
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.21
_refine_diff_density_max         1.103
_refine_diff_density_min         -0.923
_refine_diff_density_rms         0.104
_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     393
_refine_ls_number_reflns         6077
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.0585
_refine_ls_R_factor_gt           0.0442
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0800P)²+15.9000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1327
_refine_ls_wR_factor_ref         0.1422
_reflns_number_gt                4773
_reflns_number_total             6077
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d3cc02981f2.cif
_cod_data_source_block           a_CCDC1
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 
;
_cod_original_sg_symbol_H-M      'C2/c  '
_cod_database_code               7132098
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
I1 I 1.00901(4) 0.100896(8) 0.48167(4) 0.06525(17) Uani 1 1 d . . .
I2 I 0.79044(3) 0.217082(9) 0.69796(4) 0.06630(17) Uani 1 1 d . . .
F1 F 0.7865(6) 0.14467(11) 0.7103(6) 0.147(3) Uani 1 1 d . . .
F2 F 0.8738(7) 0.10051(9) 0.6344(7) 0.174(3) Uani 1 1 d . . .
F3 F 1.0197(3) 0.17470(8) 0.4736(3) 0.0670(9) Uani 1 1 d . . .
F4 F 0.9299(3) 0.21853(7) 0.5476(3) 0.0751(10) Uani 1 1 d . . .
N1 N 0.0995(5) 1.05442(11) 0.3940(4) 0.0659(14) Uani 1 1 d . . .
N2 N 0.7600(5) 0.76444(12) 0.6831(5) 0.0697(14) Uani 1 1 d . . .
C1 C 0.1741(7) 1.06158(14) 0.3563(6) 0.082(2) Uani 1 1 d . . .
H1A H 0.1852 1.0822 0.3476 0.098 Uiso 1 1 calc R . .
C2 C 0.2377(6) 1.04077(13) 0.3285(6) 0.0629(15) Uani 1 1 d . . .
C3 C 0.2197(4) 1.00981(11) 0.3417(4) 0.0454(12) Uani 1 1 d . . .
C4 C 0.1421(5) 1.00212(12) 0.3829(5) 0.0547(14) Uani 1 1 d . . .
C5 C 0.0838(5) 1.02547(14) 0.4043(5) 0.0608(15) Uani 1 1 d . . .
H5A H 0.0290 1.0201 0.4280 0.073 Uiso 1 1 calc R . .
C6 C 0.1208(7) 0.96907(16) 0.4030(9) 0.100(3) Uani 1 1 d . . .
H6A H 0.1688 0.9560 0.3843 0.151 Uiso 1 1 calc R . .
H6B H 0.0437 0.9640 0.3582 0.151 Uiso 1 1 calc R . .
H6C H 0.1365 0.9663 0.4792 0.151 Uiso 1 1 calc R . .
C7 C 0.3200(9) 1.05143(17) 0.2853(9) 0.112(3) Uani 1 1 d . . .
H7A H 0.3560 1.0341 0.2701 0.168 Uiso 1 1 calc R . .
H7B H 0.3756 1.0642 0.3392 0.168 Uiso 1 1 calc R . .
H7C H 0.2811 1.0629 0.2188 0.168 Uiso 1 1 calc R . .
C8 C 0.2884(4) 0.98563(10) 0.3175(4) 0.0407(11) Uani 1 1 d . . .
C9 C 0.2555(5) 0.97292(15) 0.2152(5) 0.0633(17) Uani 1 1 d . . .
H9A H 0.1879 0.9791 0.1589 0.076 Uiso 1 1 calc R . .
C10 C 0.3198(4) 0.95106(13) 0.1926(4) 0.0546(14) Uani 1 1 d . . .
H10A H 0.2948 0.9431 0.1219 0.065 Uiso 1 1 calc R . .
C11 C 0.4206(3) 0.94105(9) 0.2744(4) 0.0325(9) Uani 1 1 d . . .
C12 C 0.4547(4) 0.95436(13) 0.3773(4) 0.0529(13) Uani 1 1 d . . .
H12A H 0.5234 0.9488 0.4334 0.063 Uiso 1 1 calc R . .
C13 C 0.3879(4) 0.97583(12) 0.3981(4) 0.0530(13) Uani 1 1 d . . .
H13A H 0.4116 0.9837 0.4688 0.064 Uiso 1 1 calc R . .
C14 C 0.5000 0.91899(13) 0.2500 0.0320(13) Uani 1 2 d S . .
C15 C 0.5624(4) 0.89632(9) 0.3452(4) 0.0352(10) Uani 1 1 d . . .
C16 C 0.5146(5) 0.88596(14) 0.4133(5) 0.0644(17) Uani 1 1 d . . .
H16A H 0.4506 0.8955 0.4115 0.077 Uiso 1 1 calc R . .
C17 C 0.5610(6) 0.86145(15) 0.4846(6) 0.073(2) Uani 1 1 d . . .
H17A H 0.5303 0.8558 0.5330 0.088 Uiso 1 1 calc R . .
C18 C 0.6518(4) 0.84545(11) 0.4843(4) 0.0473(12) Uani 1 1 d . . .
C19 C 0.6998(5) 0.85600(13) 0.4183(5) 0.0624(17) Uani 1 1 d . . .
H19A H 0.7626 0.8461 0.4187 0.075 Uiso 1 1 calc R . .
C20 C 0.6572(4) 0.88113(13) 0.3508(5) 0.0572(15) Uani 1 1 d . . .
H20A H 0.6931 0.8880 0.3081 0.069 Uiso 1 1 calc R . .
C21 C 0.6935(4) 0.81715(11) 0.5534(4) 0.0456(12) Uani 1 1 d . . .
C22 C 0.7759(5) 0.81876(13) 0.6601(5) 0.0602(15) Uani 1 1 d . . .
C23 C 0.8069(6) 0.79157(16) 0.7227(6) 0.0731(19) Uani 1 1 d . . .
H23A H 0.8622 0.7925 0.7944 0.088 Uiso 1 1 calc R . .
C24 C 0.6846(5) 0.76341(12) 0.5807(5) 0.0623(15) Uani 1 1 d . . .
H24A H 0.6544 0.7445 0.5522 0.075 Uiso 1 1 calc R . .
C25 C 0.6463(5) 0.78885(13) 0.5109(5) 0.0560(13) Uani 1 1 d . . .
C26 C 0.5600(7) 0.78418(16) 0.3941(6) 0.085(2) Uani 1 1 d . . .
H26A H 0.5389 0.7631 0.3830 0.128 Uiso 1 1 calc R . .
H26B H 0.5912 0.7901 0.3439 0.128 Uiso 1 1 calc R . .
H26C H 0.4948 0.7964 0.3813 0.128 Uiso 1 1 calc R . .
C27 C 0.8300(8) 0.84874(17) 0.7130(6) 0.102(3) Uani 1 1 d . . .
H27A H 0.8011 0.8649 0.6601 0.153 Uiso 1 1 calc R . .
H27B H 0.9099 0.8474 0.7375 0.153 Uiso 1 1 calc R . .
H27C H 0.8130 0.8529 0.7748 0.153 Uiso 1 1 calc R . .
C28 C 0.8428(7) 0.15260(16) 0.6505(7) 0.089(2) Uani 1 1 d . . .
C29 C 0.8886(8) 0.12951(14) 0.6127(8) 0.096(3) Uani 1 1 d . . .
C30 C 0.9463(6) 0.13593(13) 0.5470(6) 0.0646(16) Uani 1 1 d . . .
C31 C 0.9603(5) 0.16660(12) 0.5305(5) 0.0519(13) Uani 1 1 d . . .
C32 C 0.9148(5) 0.18923(12) 0.5702(5) 0.0514(13) Uani 1 1 d . . .
C33 C 0.8545(5) 0.18290(13) 0.6315(5) 0.0595(15) Uani 1 1 d . . .
C34 C 0.5468(11) 0.8111(3) 0.7404(10) 0.067(3) Uani 0.50 1 d PU . .
Cl1 Cl 0.5710(14) 0.8469(4) 0.7775(17) 0.350(9) Uani 0.50 1 d PU . .
Cl2 Cl 0.4337(11) 0.7974(3) 0.6517(10) 0.468(7) Uani 1 1 d 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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 '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'
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
C5 N1 C1 116.8(5) . . ?
C24 N2 C23 117.5(5) . . ?
N1 C1 C2 125.1(6) . . ?
N1 C1 H1A 117.5 . . ?
C2 C1 H1A 117.5 . . ?
C1 C2 C3 116.8(6) . . ?
C1 C2 C7 120.7(6) . . ?
C3 C2 C7 122.5(5) . . ?
C4 C3 C2 118.4(5) . . ?
C4 C3 C8 121.2(5) . . ?
C2 C3 C8 120.3(5) . . ?
C5 C4 C3 117.8(5) . . ?
C5 C4 C6 120.7(6) . . ?
C3 C4 C6 121.4(5) . . ?
N1 C5 C4 125.1(6) . . ?
N1 C5 H5A 117.5 . . ?
C4 C5 H5A 117.5 . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C13 C8 C9 117.2(4) . . ?
C13 C8 C3 120.6(4) . . ?
C9 C8 C3 122.3(5) . . ?
C8 C9 C10 122.2(5) . . ?
C8 C9 H9A 118.9 . . ?
C10 C9 H9A 118.9 . . ?
C11 C10 C9 120.7(5) . . ?
C11 C10 H10A 119.7 . . ?
C9 C10 H10A 119.7 . . ?
C12 C11 C10 117.0(4) . . ?
C12 C11 C14 120.5(4) . . ?
C10 C11 C14 122.1(4) . . ?
C11 C12 C13 121.1(5) . . ?
C11 C12 H12A 119.5 . . ?
C13 C12 H12A 119.5 . . ?
C8 C13 C12 121.8(5) . . ?
C8 C13 H13A 119.1 . . ?
C12 C13 H13A 119.1 . . ?
C15 C14 C15 100.3(5) 2_655 . ?
C15 C14 C11 113.2(2) 2_655 2_655 ?
C15 C14 C11 113.8(2) . 2_655 ?
C15 C14 C11 113.8(2) 2_655 . ?
C15 C14 C11 113.2(2) . . ?
C11 C14 C11 103.1(4) 2_655 . ?
C16 C15 C20 116.9(4) . . ?
C16 C15 C14 121.6(4) . . ?
C20 C15 C14 120.2(4) . . ?
C15 C16 C17 121.1(5) . . ?
C15 C16 H16A 119.5 . . ?
C17 C16 H16A 119.5 . . ?
C18 C17 C16 121.1(5) . . ?
C18 C17 H17A 119.5 . . ?
C16 C17 H17A 119.5 . . ?
C19 C18 C17 117.6(5) . . ?
C19 C18 C21 122.0(5) . . ?
C17 C18 C21 120.4(4) . . ?
C18 C19 C20 121.6(5) . . ?
C18 C19 H19A 119.2 . . ?
C20 C19 H19A 119.2 . . ?
C15 C20 C19 121.6(5) . . ?
C15 C20 H20A 119.2 . . ?
C19 C20 H20A 119.2 . . ?
C22 C21 C25 119.1(5) . . ?
C22 C21 C18 121.1(5) . . ?
C25 C21 C18 119.9(5) . . ?
C21 C22 C23 118.3(5) . . ?
C21 C22 C27 122.3(5) . . ?
C23 C22 C27 119.4(6) . . ?
N2 C23 C22 122.9(6) . . ?
N2 C23 H23A 118.5 . . ?
C22 C23 H23A 118.5 . . ?
N2 C24 C25 124.7(6) . . ?
N2 C24 H24A 117.6 . . ?
C25 C24 H24A 117.6 . . ?
C21 C25 C24 117.5(5) . . ?
C21 C25 C26 123.6(5) . . ?
C24 C25 C26 118.9(6) . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C22 C27 H27A 109.5 . . ?
C22 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C22 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
F1 C28 C33 119.6(6) . . ?
F1 C28 C29 117.6(6) . . ?
C33 C28 C29 122.8(6) . . ?
F2 C29 C28 119.5(6) . . ?
F2 C29 C30 119.5(6) . . ?
C28 C29 C30 121.0(6) . . ?
C31 C30 C29 115.8(5) . . ?
C31 C30 I1 122.8(4) . . ?
C29 C30 I1 121.4(4) . . ?
F3 C31 C32 118.5(5) . . ?
F3 C31 C30 119.5(5) . . ?
C32 C31 C30 122.0(5) . . ?
F4 C32 C31 118.0(5) . . ?
F4 C32 C33 119.7(5) . . ?
C31 C32 C33 122.2(5) . . ?
C28 C33 C32 116.1(5) . . ?
C28 C33 I2 121.2(5) . . ?
C32 C33 I2 122.7(4) . . ?
C34 C34 Cl2 67.3(9) 2_656 2_656 ?
C34 C34 Cl2 60.2(10) 2_656 . ?
Cl2 C34 Cl2 107.4(10) 2_656 . ?
C34 C34 Cl1 91.0(8) 2_656 . ?
Cl2 C34 Cl1 99.3(11) 2_656 . ?
Cl2 C34 Cl1 126.5(13) . . ?
C34 C34 Cl1 49.7(6) 2_656 2_656 ?
Cl2 C34 Cl1 103.1(10) 2_656 2_656 ?
Cl2 C34 Cl1 77.9(8) . 2_656 ?
Cl1 C34 Cl1 51.0(11) . 2_656 ?
C34 Cl1 Cl1 80.2(8) . 2_656 ?
C34 Cl1 C34 39.3(7) . 2_656 ?
Cl1 Cl1 C34 48.8(6) 2_656 2_656 ?
C34 Cl1 Cl2 38.0(6) . 2_656 ?
Cl1 Cl1 Cl2 88.0(7) 2_656 2_656 ?
C34 Cl1 Cl2 40.4(5) 2_656 2_656 ?
C34 Cl2 C34 52.5(10) 2_656 . ?
C34 Cl2 Cl1 42.7(8) 2_656 2_656 ?
C34 Cl2 Cl1 61.7(8) . 2_656 ?
C34 Cl2 Cl2 37.6(6) 2_656 2_656 ?
C34 Cl2 Cl2 35.0(5) . 2_656 ?
Cl1 Cl2 Cl2 72.6(6) 2_656 2_656 ?
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
I1 C30 2.099(5) . ?
I2 C33 2.092(5) . ?
F1 C28 1.343(8) . ?
F2 C29 1.337(8) . ?
F3 C31 1.347(6) . ?
F4 C32 1.353(6) . ?
N1 C5 1.303(8) . ?
N1 C1 1.314(9) . ?
N2 C24 1.311(8) . ?
N2 C23 1.341(9) . ?
C1 C2 1.388(9) . ?
C1 H1A 0.9300 . ?
C2 C3 1.402(8) . ?
C2 C7 1.500(9) . ?
C3 C4 1.389(8) . ?
C3 C8 1.513(6) . ?
C4 C5 1.378(7) . ?
C4 C6 1.521(9) . ?
C5 H5A 0.9300 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 C13 1.366(7) . ?
C8 C9 1.369(7) . ?
C9 C10 1.391(7) . ?
C9 H9A 0.9300 . ?
C10 C11 1.386(7) . ?
C10 H10A 0.9300 . ?
C11 C12 1.385(7) . ?
C11 C14 1.555(5) . ?
C12 C13 1.392(7) . ?
C12 H12A 0.9300 . ?
C13 H13A 0.9300 . ?
C14 C15 1.551(6) 2_655 ?
C14 C15 1.551(6) . ?
C14 C11 1.555(5) 2_655 ?
C15 C16 1.383(7) . ?
C15 C20 1.385(7) . ?
C16 C17 1.395(8) . ?
C16 H16A 0.9300 . ?
C17 C18 1.385(8) . ?
C17 H17A 0.9300 . ?
C18 C19 1.363(7) . ?
C18 C21 1.506(6) . ?
C19 C20 1.385(7) . ?
C19 H19A 0.9300 . ?
C20 H20A 0.9300 . ?
C21 C22 1.384(8) . ?
C21 C25 1.396(8) . ?
C22 C23 1.415(8) . ?
C22 C27 1.520(9) . ?
C23 H23A 0.9300 . ?
C24 C25 1.406(8) . ?
C24 H24A 0.9300 . ?
C25 C26 1.509(9) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 C33 1.373(9) . ?
C28 C29 1.379(9) . ?
C29 C30 1.410(9) . ?
C30 C31 1.387(8) . ?
C31 C32 1.376(7) . ?
C32 C33 1.387(8) . ?
C34 C34 1.36(2) 2_656 ?
C34 Cl2 1.484(16) 2_656 ?
C34 Cl2 1.578(16) . ?
C34 Cl1 1.64(2) . ?
C34 Cl1 2.14(2) 2_656 ?
Cl1 Cl1 1.69(3) 2_656 ?
Cl1 C34 2.14(2) 2_656 ?
Cl1 Cl2 2.380(19) 2_656 ?
Cl2 C34 1.484(16) 2_656 ?
Cl2 Cl1 2.380(19) 2_656 ?
Cl2 Cl2 2.47(2) 2_656 ?
