#------------------------------------------------------------------------------
#$Date: 2017-06-23 03:41:33 +0300 (Fri, 23 Jun 2017) $
#$Revision: 198100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/03/7120326.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_7120326
loop_
_publ_author_name
'Tian, Xiaohe'
'Zhu, Yingzhong'
'Zhang, Qiong'
'Zhang, Ruilong'
'Wu, Jieying'
'Tian, Yupeng'
_publ_section_title
;
 Halides Tuning Subcellular-Targeting in Two-Photon Emissive Complexes via
 Different Uptake Mechanisms
;
_journal_name_full               'Chem. Commun.'
_journal_paper_doi               10.1039/C7CC03640J
_journal_year                    2017
_chemical_formula_sum            'C30 H30 Cl2 I2 N4 O4 Zn'
_chemical_formula_weight         900.65
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yac'
_symmetry_space_group_name_H-M   'P 1 2/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2016-03-17 deposited with the CCDC.
2017-06-22 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 105.8450(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.1743(7)
_cell_length_b                   16.1294(9)
_cell_length_c                   17.5665(10)
_cell_measurement_reflns_used    6193
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.50
_cell_measurement_theta_min      1.26
_cell_volume                     3318.4(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker P4'
_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  0.0272
_diffrn_reflns_av_sigmaI/netI    0.0245
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            24190
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.26
_exptl_absorpt_coefficient_mu    2.802
_exptl_absorpt_correction_T_max  0.7297
_exptl_absorpt_correction_T_min  0.6786
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.803
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1760
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_refine_diff_density_max         2.822
_refine_diff_density_min         -1.460
_refine_diff_density_rms         0.162
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.091
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     403
_refine_ls_number_reflns         6193
_refine_ls_number_restraints     19
_refine_ls_restrained_S_all      1.108
_refine_ls_R_factor_all          0.0565
_refine_ls_R_factor_gt           0.0475
_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)+(0.0911P)²+8.2147P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1410
_refine_ls_wR_factor_ref         0.1500
_reflns_number_gt                5151
_reflns_number_total             6193
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c7cc03640j2.cif
_cod_data_source_block           a01
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 
;
_cod_original_sg_symbol_H-M      'P2/n  '
_cod_database_code               7120326
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y, -z+1/2'
'-x, -y, -z'
'x-1/2, -y, 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
I1 I 0.80484(3) 0.02127(2) 0.64105(2) 0.03496(15) Uani 1 1 d .
I2 I 0.30627(3) 0.50724(2) 0.641889(18) 0.03161(15) Uani 1 1 d .
Zn1 Zn 0.7500 0.10658(5) 0.7500 0.0222(2) Uani 1 2 d S
Zn2 Zn 0.2500 0.42161(5) 0.7500 0.02116(19) Uani 1 2 d S
N1 N 0.7500 0.2354(3) 0.7500 0.0202(11) Uani 1 2 d S
N2 N 0.7500 0.7619(3) 0.7500 0.0245(12) Uani 1 2 d S
N3 N 0.5766(3) 0.1426(3) 0.6811(2) 0.0247(8) Uani 1 1 d .
N4 N 0.0783(3) 0.3862(2) 0.6783(2) 0.0248(8) Uani 1 1 d .
N5 N 0.2500 -0.2321(4) 0.7500 0.0262(13) Uani 1 2 d S
N6 N 0.2500 0.2935(3) 0.7500 0.0182(10) Uani 1 2 d S
O1 O 0.6265(3) 0.7980(3) 0.5939(2) 0.0439(10) Uani 1 1 d .
O2 O 0.4897(3) 0.8589(3) 0.6372(2) 0.0397(9) Uani 1 1 d .
O3 O 0.1249(4) -0.2639(3) 0.5928(2) 0.0508(11) Uani 1 1 d .
O4 O -0.0160(3) -0.3196(3) 0.6351(2) 0.0386(9) Uani 1 1 d .
C1 C 0.3557(7) 0.8046(5) 0.5236(4) 0.074(2) Uani 1 1 d D
H1A H 0.3116 0.8168 0.4706 0.111 Uiso 1 1 calc R
H1B H 0.3053 0.7911 0.5553 0.111 Uiso 1 1 calc R
H1C H 0.4051 0.7583 0.5229 0.111 Uiso 1 1 calc R
C2 C 0.4229(5) 0.8753(4) 0.5564(3) 0.0455(15) Uani 1 1 d D
H2A H 0.3732 0.9225 0.5558 0.055 Uiso 1 1 calc R
H2B H 0.4737 0.8891 0.5243 0.055 Uiso 1 1 calc R
C3 C 0.6455(4) 0.8082(3) 0.7339(3) 0.0226(9) Uani 1 1 d .
H3A H 0.6612 0.8624 0.7585 0.027 Uiso 1 1 calc R
H3B H 0.5929 0.7799 0.7578 0.027 Uiso 1 1 calc R
C4 C 0.7500 0.4086(4) 0.7500 0.0193(12) Uani 1 2 d S
C5 C 0.4938(4) 0.0891(3) 0.6447(3) 0.0304(11) Uani 1 1 d .
H5A H 0.5082 0.0325 0.6506 0.037 Uiso 1 1 calc R
C6 C 0.4514(4) 0.2547(3) 0.6289(3) 0.0247(10) Uani 1 1 d .
H6A H 0.4380 0.3115 0.6246 0.030 Uiso 1 1 calc R
C7 C 0.3672(4) 0.1991(3) 0.5916(3) 0.0279(10) Uani 1 1 d .
H7A H 0.2966 0.2182 0.5616 0.034 Uiso 1 1 calc R
C8 C 0.6478(4) 0.6310(3) 0.7253(3) 0.0218(9) Uani 1 1 d .
H8A H 0.5787 0.6591 0.7082 0.026 Uiso 1 1 calc R
C9 C 0.5889(4) 0.8194(3) 0.6465(3) 0.0268(10) Uani 1 1 d .
C10 C 0.7500 0.6764(4) 0.7500 0.0189(12) Uani 1 2 d S
C11 C 0.6516(4) 0.3632(3) 0.7128(3) 0.0211(9) Uani 1 1 d .
H11A H 0.5843 0.3908 0.6880 0.025 Uiso 1 1 calc R
C12 C 0.7500 0.4996(4) 0.7500 0.0200(13) Uani 1 2 d S
C30 C 0.2500 0.0289(4) 0.7500 0.0212(13) Uani 1 2 d S
C31 C 0.1567(4) 0.2510(3) 0.7101(2) 0.0206(9) Uani 1 1 d .
C32 C 0.1539(4) 0.1658(3) 0.7096(3) 0.0217(9) Uani 1 1 d .
H32A H 0.0877 0.1384 0.6822 0.026 Uiso 1 1 calc R
C1A C 1.0423(19) -0.0344(16) 0.5267(13) 0.095(6) Uani 0.50 1 d PU
C2A C 0.541(3) 0.507(3) 0.518(2) 0.157(6) Uani 0.50 1 d PU
C13 C 0.5567(4) 0.2241(3) 0.6728(2) 0.0196(9) Uani 1 1 d .
C14 C 0.6547(4) 0.2777(3) 0.7131(2) 0.0186(9) Uani 1 1 d .
C15 C 0.3890(4) 0.1152(3) 0.5992(3) 0.0314(11) Uani 1 1 d .
H15A H 0.3338 0.0770 0.5740 0.038 Uiso 1 1 calc R
C16 C 0.6484(4) 0.5459(3) 0.7259(3) 0.0223(9) Uani 1 1 d .
H16A H 0.5791 0.5178 0.7099 0.027 Uiso 1 1 calc R
C17 C -0.1981(5) -0.3558(4) 0.5548(3) 0.0411(13) Uani 1 1 d .
H17A H -0.2440 -0.3659 0.5018 0.062 Uiso 1 1 calc R
H17B H -0.2301 -0.3107 0.5773 0.062 Uiso 1 1 calc R
H17C H -0.1965 -0.4047 0.5862 0.062 Uiso 1 1 calc R
C18 C 0.1450(4) -0.2786(3) 0.7328(3) 0.0251(10) Uani 1 1 d .
H18A H 0.0933 -0.2521 0.7587 0.030 Uiso 1 1 calc R
H18B H 0.1610 -0.3339 0.7547 0.030 Uiso 1 1 calc R
C19 C 0.2500 0.1200(4) 0.7500 0.0196(12) Uani 1 2 d S
C20 C -0.0829(5) -0.3348(4) 0.5534(3) 0.0436(14) Uani 1 1 d .
H20A H -0.0837 -0.2857 0.5214 0.052 Uiso 1 1 calc R
H20B H -0.0498 -0.3801 0.5308 0.052 Uiso 1 1 calc R
C21 C 0.2500 -0.1474(4) 0.7500 0.0215(13) Uani 1 2 d S
C22 C -0.0041(4) 0.4394(3) 0.6410(3) 0.0302(11) Uani 1 1 d .
H22A H 0.0089 0.4959 0.6491 0.036 Uiso 1 1 calc R
C23 C -0.0430(4) 0.2733(3) 0.6197(3) 0.0278(10) Uani 1 1 d .
H23A H -0.0553 0.2164 0.6142 0.033 Uiso 1 1 calc R
C24 C 0.1484(4) -0.0164(3) 0.7274(3) 0.0250(10) Uani 1 1 d .
H24A H 0.0793 0.0119 0.7120 0.030 Uiso 1 1 calc R
C25 C -0.1254(4) 0.3289(3) 0.5808(3) 0.0317(11) Uani 1 1 d .
H25A H -0.1937 0.3098 0.5473 0.038 Uiso 1 1 calc R
C26 C 0.1478(4) -0.1016(3) 0.7273(3) 0.0257(10) Uani 1 1 d .
H26A H 0.0784 -0.1296 0.7119 0.031 Uiso 1 1 calc R
C27 C -0.1061(4) 0.4141(3) 0.5917(3) 0.0338(12) Uani 1 1 d .
H27A H -0.1610 0.4525 0.5663 0.041 Uiso 1 1 calc R
C28 C 0.0866(4) -0.2854(3) 0.6450(3) 0.0288(11) Uani 1 1 d .
C29 C 0.0593(4) 0.3049(3) 0.6675(3) 0.0210(9) Uani 1 1 d .
Cl1 Cl 0.9441(4) -0.0804(2) 0.4841(2) 0.1314(13) Uani 1 1 d .
Cl2 Cl 0.5403(4) 0.4159(2) 0.5127(2) 0.1584(18) 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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 '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
N1 Zn1 N3 74.72(11) . 2_656
N1 Zn1 N3 74.72(11) . .
N3 Zn1 N3 149.4(2) 2_656 .
N1 Zn1 I1 122.114(16) . .
N3 Zn1 I1 98.29(10) 2_656 .
N3 Zn1 I1 97.82(10) . .
N1 Zn1 I1 122.114(16) . 2_656
N3 Zn1 I1 97.82(10) 2_656 2_656
N3 Zn1 I1 98.29(10) . 2_656
I1 Zn1 I1 115.77(3) . 2_656
N6 Zn2 N4 74.95(11) . .
N6 Zn2 N4 74.95(10) . 2_556
N4 Zn2 N4 149.9(2) . 2_556
N6 Zn2 I2 122.264(16) . 2_556
N4 Zn2 I2 99.12(10) . 2_556
N4 Zn2 I2 96.82(10) 2_556 2_556
N6 Zn2 I2 122.264(16) . .
N4 Zn2 I2 96.82(10) . .
N4 Zn2 I2 99.12(10) 2_556 .
I2 Zn2 I2 115.47(3) 2_556 .
C14 N1 C14 119.3(5) 2_656 .
C14 N1 Zn1 120.4(3) 2_656 .
C14 N1 Zn1 120.4(3) . .
C10 N2 C3 121.3(3) . 2_656
C10 N2 C3 121.3(3) . .
C3 N2 C3 117.3(5) 2_656 .
C13 N3 C5 119.2(4) . .
C13 N3 Zn1 115.9(3) . .
C5 N3 Zn1 124.8(3) . .
C29 N4 C22 118.6(4) . .
C29 N4 Zn2 115.9(3) . .
C22 N4 Zn2 125.3(3) . .
C21 N5 C18 121.3(3) . .
C21 N5 C18 121.3(3) . 2_556
C18 N5 C18 117.3(5) . 2_556
C31 N6 C31 118.8(5) . 2_556
C31 N6 Zn2 120.6(3) . .
C31 N6 Zn2 120.6(3) 2_556 .
C9 O2 C2 116.9(4) . .
C28 O4 C20 116.6(4) . .
C2 C1 H1A 109.5 . .
C2 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
C2 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
C1 C2 O2 110.7(5) . .
C1 C2 H2A 109.5 . .
O2 C2 H2A 109.5 . .
C1 C2 H2B 109.5 . .
O2 C2 H2B 109.5 . .
H2A C2 H2B 108.1 . .
N2 C3 C9 113.3(3) . .
N2 C3 H3A 108.9 . .
C9 C3 H3A 108.9 . .
N2 C3 H3B 108.9 . .
C9 C3 H3B 108.9 . .
H3A C3 H3B 107.7 . .
C11 C4 C11 117.1(6) . 2_656
C11 C4 C12 121.5(3) . .
C11 C4 C12 121.5(3) 2_656 .
N3 C5 C15 122.4(5) . .
N3 C5 H5A 118.8 . .
C15 C5 H5A 118.8 . .
C7 C6 C13 118.9(4) . .
C7 C6 H6A 120.6 . .
C13 C6 H6A 120.6 . .
C15 C7 C6 119.5(4) . .
C15 C7 H7A 120.3 . .
C6 C7 H7A 120.3 . .
C16 C8 C10 121.1(4) . .
C16 C8 H8A 119.5 . .
C10 C8 H8A 119.5 . .
O1 C9 O2 124.8(5) . .
O1 C9 C3 126.0(4) . .
O2 C9 C3 109.1(4) . .
N2 C10 C8 121.4(3) . .
N2 C10 C8 121.4(3) . 2_656
C8 C10 C8 117.2(6) . 2_656
C14 C11 C4 120.1(4) . .
C14 C11 H11A 120.0 . .
C4 C11 H11A 120.0 . .
C16 C12 C16 116.0(6) 2_656 .
C16 C12 C4 122.0(3) 2_656 .
C16 C12 C4 122.0(3) . .
C24 C30 C24 117.0(6) . 2_556
C24 C30 C19 121.5(3) . .
C24 C30 C19 121.5(3) 2_556 .
N6 C31 C32 121.9(4) . .
N6 C31 C29 113.9(4) . .
C32 C31 C29 124.2(4) . .
C31 C32 C19 120.5(4) . .
C31 C32 H32A 119.7 . .
C19 C32 H32A 119.7 . .
Cl1 C1A C1A 75.2(16) . 3_756
Cl1 C1A Cl1 122.9(15) . 3_756
C1A C1A Cl1 47.7(13) 3_756 3_756
C2A C2A Cl2 77(5) 3_666 .
C2A C2A Cl2 63(4) 3_666 3_666
Cl2 C2A Cl2 140(3) . 3_666
N3 C13 C6 121.4(4) . .
N3 C13 C14 114.9(4) . .
C6 C13 C14 123.7(4) . .
N1 C14 C11 121.7(4) . .
N1 C14 C13 114.1(4) . .
C11 C14 C13 124.2(4) . .
C5 C15 C7 118.7(5) . .
C5 C15 H15A 120.6 . .
C7 C15 H15A 120.6 . .
C8 C16 C12 122.3(4) . .
C8 C16 H16A 118.8 . .
C12 C16 H16A 118.8 . .
C20 C17 H17A 109.5 . .
C20 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C20 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
N5 C18 C28 113.1(4) . .
N5 C18 H18A 109.0 . .
C28 C18 H18A 109.0 . .
N5 C18 H18B 109.0 . .
C28 C18 H18B 109.0 . .
H18A C18 H18B 107.8 . .
C32 C19 C32 116.4(6) 2_556 .
C32 C19 C30 121.8(3) 2_556 .
C32 C19 C30 121.8(3) . .
C17 C20 O4 107.7(4) . .
C17 C20 H20A 110.2 . .
O4 C20 H20A 110.2 . .
C17 C20 H20B 110.2 . .
O4 C20 H20B 110.2 . .
H20A C20 H20B 108.5 . .
N5 C21 C26 121.6(3) . .
N5 C21 C26 121.6(3) . 2_556
C26 C21 C26 116.7(6) . 2_556
N4 C22 C27 123.1(5) . .
N4 C22 H22A 118.4 . .
C27 C22 H22A 118.4 . .
C25 C23 C29 118.0(5) . .
C25 C23 H23A 121.0 . .
C29 C23 H23A 121.0 . .
C26 C24 C30 121.8(5) . .
C26 C24 H24A 119.1 . .
C30 C24 H24A 119.1 . .
C23 C25 C27 119.9(5) . .
C23 C25 H25A 120.0 . .
C27 C25 H25A 120.0 . .
C24 C26 C21 121.3(5) . .
C24 C26 H26A 119.3 . .
C21 C26 H26A 119.3 . .
C22 C27 C25 118.0(5) . .
C22 C27 H27A 121.0 . .
C25 C27 H27A 121.0 . .
O3 C28 O4 124.9(5) . .
O3 C28 C18 126.2(5) . .
O4 C28 C18 108.9(4) . .
N4 C29 C23 122.4(4) . .
N4 C29 C31 114.6(4) . .
C23 C29 C31 123.0(4) . .
C1A Cl1 C1A 57.1(15) . 3_756
C2A Cl2 C2A 40(3) . 3_666
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
I1 Zn1 2.5885(5) .
I2 Zn2 2.5872(5) .
Zn1 N1 2.078(6) .
Zn1 N3 2.206(4) 2_656
Zn1 N3 2.206(4) .
Zn1 I1 2.5885(5) 2_656
Zn2 N6 2.066(5) .
Zn2 N4 2.201(4) .
Zn2 N4 2.201(4) 2_556
Zn2 I2 2.5872(5) 2_556
N1 C14 1.349(5) 2_656
N1 C14 1.349(5) .
N2 C10 1.379(9) .
N2 C3 1.435(5) 2_656
N2 C3 1.435(5) .
N3 C13 1.337(6) .
N3 C5 1.348(6) .
N4 C29 1.336(6) .
N4 C22 1.347(6) .
N5 C21 1.367(9) .
N5 C18 1.441(5) .
N5 C18 1.441(5) 2_556
N6 C31 1.348(5) .
N6 C31 1.348(5) 2_556
O1 C9 1.191(6) .
O2 C9 1.334(6) .
O2 C2 1.455(6) .
O3 C28 1.187(6) .
O4 C28 1.334(6) .
O4 C20 1.464(6) .
C1 C2 1.431(9) .
C1 H1A 0.9600 .
C1 H1B 0.9600 .
C1 H1C 0.9600 .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C3 C9 1.512(6) .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C4 C11 1.403(6) .
C4 C11 1.403(6) 2_656
C4 C12 1.468(9) .
C5 C15 1.374(7) .
C5 H5A 0.9300 .
C6 C7 1.385(7) .
C6 C13 1.393(6) .
C6 H6A 0.9300 .
C7 C15 1.378(8) .
C7 H7A 0.9300 .
C8 C16 1.373(7) .
C8 C10 1.406(5) .
C8 H8A 0.9300 .
C10 C8 1.406(5) 2_656
C11 C14 1.380(7) .
C11 H11A 0.9300 .
C12 C16 1.407(6) 2_656
C12 C16 1.407(6) .
C30 C24 1.398(6) .
C30 C24 1.398(6) 2_556
C30 C19 1.470(9) .
C31 C32 1.374(7) .
C31 C29 1.496(6) .
C32 C19 1.402(6) .
C32 H32A 0.9300 .
C1A Cl1 1.43(2) .
C1A C1A 1.63(5) 3_756
C1A Cl1 1.87(3) 3_756
C2A C2A 1.05(8) 3_666
C2A Cl2 1.47(4) .
C2A Cl2 1.59(4) 3_666
C13 C14 1.487(6) .
C15 H15A 0.9300 .
C16 H16A 0.9300 .
C17 C20 1.449(8) .
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
C18 C28 1.517(7) .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C19 C32 1.402(6) 2_556
C20 H20A 0.9700 .
C20 H20B 0.9700 .
C21 C26 1.408(6) .
C21 C26 1.408(6) 2_556
C22 C27 1.367(7) .
C22 H22A 0.9300 .
C23 C25 1.381(7) .
C23 C29 1.395(6) .
C23 H23A 0.9300 .
C24 C26 1.374(7) .
C24 H24A 0.9300 .
C25 C27 1.399(8) .
C25 H25A 0.9300 .
C26 H26A 0.9300 .
C27 H27A 0.9300 .
Cl1 C1A 1.87(3) 3_756
Cl2 C2A 1.59(4) 3_666
