#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:00:14 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180367 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/36/7203613.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_7203613
loop_
_publ_author_name
'Jouaiti, Abdelaziz'
'Kyritsakas, Nathalie'
'Planeix, Jean-Marc'
'Hosseini, Mir Wais'
_publ_section_title
;
 Molecular tectonics: generation and packing of 1-D coordination
 networks formed between dibromofluorene based tectons bearing two
 pyridines and metal halides
;
_journal_issue                   12
_journal_name_full               CrystEngComm
_journal_page_first              883
_journal_paper_doi               10.1039/b611733n
_journal_volume                  8
_journal_year                    2006
_chemical_formula_moiety         'C37 H22 Br4 Cd N2 O4, 3(C H Cl3)'
_chemical_formula_sum            'C40 H25 Br4 Cd Cl9 N2 O4'
_chemical_formula_weight         1348.71
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                114.815(2)
_cell_angle_beta                 91.345(2)
_cell_angle_gamma                92.087(2)
_cell_formula_units_Z            2
_cell_length_a                   9.1433(4)
_cell_length_b                   16.1077(6)
_cell_length_c                   17.4365(7)
_cell_measurement_reflns_used    5397
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      27.34
_cell_measurement_theta_min      2.23
_cell_volume                     2327.22(17)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0599
_diffrn_reflns_av_sigmaI/netI    0.1114
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            24597
_diffrn_reflns_theta_full        27.43
_diffrn_reflns_theta_max         27.43
_diffrn_reflns_theta_min         2.53
_exptl_absorpt_coefficient_mu    4.463
_exptl_absorpt_correction_T_max  0.9567
_exptl_absorpt_correction_T_min  0.8417
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.925
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1304
_exptl_crystal_size_max          0.04
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.01
_refine_diff_density_max         1.530
_refine_diff_density_min         -1.388
_refine_diff_density_rms         0.149
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.017
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     475
_refine_ls_number_reflns         10522
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.1160
_refine_ls_R_factor_gt           0.0623
_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)+(0.0534P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1126
_refine_ls_wR_factor_ref         0.1262
_reflns_number_gt                6563
_reflns_number_total             10522
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b611733n.txt
_cod_data_source_block           e460a
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        2327.22(16)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7203613
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cd1 Cd -0.43451(4) 0.72936(3) 0.97850(2) 0.02199(11) Uani 1 1 d . . .
Br4 Br -0.54329(7) 0.65207(4) 1.06550(4) 0.03561(17) Uani 1 1 d . . .
Br3 Br -0.56636(7) 0.79245(4) 0.88766(4) 0.03471(17) Uani 1 1 d . . .
N1 N -0.2917(5) 0.6198(3) 0.8896(3) 0.0218(7) Uani 1 1 d . . .
C1 C -0.2928(6) 0.5386(3) 0.8938(3) 0.0218(7) Uani 1 1 d . . .
H1 H -0.3469 0.5312 0.9351 0.026 Uiso 1 1 calc R . .
C2 C -0.2183(7) 0.4660(4) 0.8402(4) 0.0377(16) Uani 1 1 d . . .
H2 H -0.2214 0.4109 0.8455 0.045 Uiso 1 1 calc R . .
C3 C -0.1382(7) 0.4762(4) 0.7780(4) 0.0290(14) Uani 1 1 d . . .
H3 H -0.0883 0.4276 0.7400 0.035 Uiso 1 1 calc R . .
C4 C -0.1342(6) 0.5589(3) 0.7739(3) 0.0190(12) Uani 1 1 d . . .
C5 C -0.2136(6) 0.6287(4) 0.8300(3) 0.0218(7) Uani 1 1 d . . .
H5 H -0.2121 0.6844 0.8257 0.026 Uiso 1 1 calc R . .
C6 C -0.0448(6) 0.5704(4) 0.7073(3) 0.0249(13) Uani 1 1 d . . .
O1 O 0.0042(5) 0.5080(3) 0.6494(2) 0.0335(10) Uani 1 1 d . . .
O2 O -0.0274(4) 0.6595(2) 0.7224(2) 0.0261(9) Uani 1 1 d . . .
C7 C 0.0534(6) 0.6828(3) 0.6651(3) 0.0220(12) Uani 1 1 d . . .
C8 C 0.0084(6) 0.6507(4) 0.5811(3) 0.0255(13) Uani 1 1 d . . .
H8 H -0.0721 0.6096 0.5594 0.031 Uiso 1 1 calc R . .
C9 C 0.0857(6) 0.6811(3) 0.5303(3) 0.0185(6) Uani 1 1 d . . .
H9 H 0.0567 0.6598 0.4735 0.022 Uiso 1 1 calc R . .
C10 C 0.2069(6) 0.7433(3) 0.5618(3) 0.0185(6) Uani 1 1 d . . .
C11 C 0.2499(6) 0.7728(3) 0.6461(3) 0.0185(6) Uani 1 1 d . . .
H11 H 0.3313 0.8131 0.6681 0.022 Uiso 1 1 calc R . .
C12 C 0.1726(6) 0.7430(3) 0.6980(3) 0.0228(13) Uani 1 1 d . . .
H12 H 0.2013 0.7636 0.7548 0.027 Uiso 1 1 calc R . .
C13 C 0.2977(6) 0.7678(3) 0.5016(3) 0.0185(6) Uani 1 1 d . . .
C14 C 0.4138(6) 0.6956(3) 0.4647(3) 0.0189(12) Uani 1 1 d . . .
C15 C 0.3901(6) 0.6009(4) 0.4252(3) 0.0251(13) Uani 1 1 d . . .
H15 H 0.2959 0.5737 0.4136 0.030 Uiso 1 1 calc R . .
C16 C 0.5125(7) 0.5487(4) 0.4037(3) 0.0290(14) Uani 1 1 d . . .
Br1 Br 0.48497(8) 0.41905(4) 0.35144(4) 0.0481(2) Uani 1 1 d . . .
C17 C 0.6547(7) 0.5875(4) 0.4189(3) 0.0324(15) Uani 1 1 d . . .
H17 H 0.7343 0.5505 0.4026 0.039 Uiso 1 1 calc R . .
C18 C 0.6759(6) 0.6818(4) 0.4587(3) 0.0290(14) Uani 1 1 d . . .
H18 H 0.7700 0.7090 0.4698 0.035 Uiso 1 1 calc R . .
C19 C 0.5542(6) 0.7354(4) 0.4819(3) 0.0212(12) Uani 1 1 d . . .
C20 C 0.5456(6) 0.8357(4) 0.5288(3) 0.0212(12) Uani 1 1 d . . .
C21 C 0.6542(6) 0.9060(3) 0.5578(3) 0.0206(5) Uani 1 1 d . . .
H21 H 0.7520 0.8926 0.5480 0.025 Uiso 1 1 calc R . .
C22 C 0.6161(6) 0.9959(4) 0.6013(3) 0.0259(13) Uani 1 1 d . . .
H22 H 0.6876 1.0434 0.6198 0.031 Uiso 1 1 calc R . .
C23 C 0.4699(6) 1.0140(4) 0.6169(3) 0.0235(13) Uani 1 1 d . . .
C24 C 0.3589(6) 0.9440(3) 0.5874(3) 0.0206(5) Uani 1 1 d . . .
H24 H 0.2611 0.9573 0.5973 0.025 Uiso 1 1 calc R . .
Br2 Br 0.41879(7) 1.13654(4) 0.67962(4) 0.03407(17) Uani 1 1 d . . .
C25 C 0.3987(6) 0.8550(3) 0.5434(3) 0.0179(12) Uani 1 1 d . . .
C26 C 0.2029(6) 0.7812(3) 1.4334(3) 0.0206(5) Uani 1 1 d . . .
C27 C 0.2452(6) 0.7533(3) 1.3515(3) 0.0206(5) Uani 1 1 d . . .
H27 H 0.3284 0.7198 1.3345 0.025 Uiso 1 1 calc R . .
C28 C 0.1653(6) 0.7744(3) 1.2939(3) 0.0206(5) Uani 1 1 d . . .
H28 H 0.1960 0.7567 1.2390 0.025 Uiso 1 1 calc R . .
C29 C 0.0404(6) 0.8218(4) 1.3190(3) 0.0222(12) Uani 1 1 d . . .
C30 C -0.0054(6) 0.8499(4) 1.3998(4) 0.0268(13) Uani 1 1 d . . .
H30 H -0.0902 0.8821 1.4159 0.032 Uiso 1 1 calc R . .
C31 C 0.0754(6) 0.8301(4) 1.4570(3) 0.0249(13) Uani 1 1 d . . .
H31 H 0.0450 0.8495 1.5121 0.030 Uiso 1 1 calc R . .
O3 O -0.0449(4) 0.8369(2) 1.2574(2) 0.0248(9) Uani 1 1 d . . .
C32 C -0.0483(6) 0.9234(4) 1.2650(3) 0.0247(13) Uani 1 1 d . . .
O4 O 0.0176(5) 0.9884(3) 1.3185(3) 0.0425(12) Uani 1 1 d . . .
C33 C -0.1417(6) 0.9273(4) 1.1949(3) 0.0238(7) Uani 1 1 d . . .
C34 C -0.2241(6) 0.8520(4) 1.1374(3) 0.0238(7) Uani 1 1 d . . .
H34 H -0.2237 0.7974 1.1436 0.029 Uiso 1 1 calc R . .
N2 N -0.3041(5) 0.8547(3) 1.0732(3) 0.0197(10) Uani 1 1 d . . .
C35 C -0.3058(6) 0.9339(4) 1.0658(4) 0.0275(14) Uani 1 1 d . . .
H35 H -0.3610 0.9362 1.0213 0.033 Uiso 1 1 calc R . .
C36 C -0.2290(6) 1.0128(4) 1.1214(3) 0.0238(7) Uani 1 1 d . . .
H36 H -0.2337 1.0669 1.1146 0.029 Uiso 1 1 calc R . .
C37 C -0.1444(6) 1.0097(4) 1.1877(4) 0.0271(13) Uani 1 1 d . . .
H37 H -0.0913 1.0615 1.2260 0.032 Uiso 1 1 calc R . .
C38 C 0.8636(7) 0.2317(4) 0.9858(4) 0.0439(18) Uani 1 1 d . . .
H38 H 0.7877 0.2655 1.0236 0.053 Uiso 1 1 calc R . .
Cl1 Cl 0.9713(2) 0.30865(13) 0.96224(13) 0.0573(5) Uani 1 1 d . . .
Cl2 Cl 0.7775(2) 0.14707(12) 0.89365(12) 0.0565(5) Uani 1 1 d . . .
Cl3 Cl 0.9706(2) 0.18094(17) 1.03823(15) 0.0711(6) Uani 1 1 d . . .
C39 C 0.2767(8) 0.1053(6) 0.2358(5) 0.066(2) Uani 1 1 d . . .
H39 H 0.2120 0.0728 0.2593 0.079 Uiso 1 1 calc R . .
Cl4 Cl 0.2944(3) 0.21389(15) 0.31103(14) 0.0859(8) Uani 1 1 d . . .
Cl5 Cl 0.1846(2) 0.09554(15) 0.14274(13) 0.0611(6) Uani 1 1 d . . .
Cl6 Cl 0.4359(2) 0.04753(12) 0.21623(11) 0.0511(5) Uani 1 1 d . . .
C40 C 0.7116(8) 0.5455(4) 0.1534(4) 0.0443(18) Uani 1 1 d . . .
H40 H 0.6186 0.5475 0.1253 0.053 Uiso 1 1 calc R . .
Cl7 Cl 0.7044(2) 0.44965(12) 0.17616(12) 0.0594(6) Uani 1 1 d . . .
Cl8 Cl 0.8542(3) 0.5384(2) 0.08580(16) 0.0881(8) Uani 1 1 d . . .
Cl9 Cl 0.7383(4) 0.64516(15) 0.24553(15) 0.1203(12) Uani 1 1 d . . .
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'
Cd Cd -0.8075 1.2024 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 '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
N2 Cd1 N1 113.42(15) . . ?
N2 Cd1 Br3 102.41(11) . . ?
N1 Cd1 Br3 105.62(11) . . ?
N2 Cd1 Br4 105.04(11) . . ?
N1 Cd1 Br4 102.30(11) . . ?
Br3 Cd1 Br4 128.34(3) . . ?
C5 N1 C1 117.2(5) . . ?
C5 N1 Cd1 124.5(4) . . ?
C1 N1 Cd1 118.3(4) . . ?
N1 C1 C2 123.3(5) . . ?
N1 C1 H1 118.3 . . ?
C2 C1 H1 118.3 . . ?
C1 C2 C3 118.8(5) . . ?
C1 C2 H2 120.6 . . ?
C3 C2 H2 120.6 . . ?
C4 C3 C2 118.5(5) . . ?
C4 C3 H3 120.8 . . ?
C2 C3 H3 120.8 . . ?
C3 C4 C5 119.2(5) . . ?
C3 C4 C6 118.5(5) . . ?
C5 C4 C6 122.3(5) . . ?
N1 C5 C4 123.0(5) . . ?
N1 C5 H5 118.5 . . ?
C4 C5 H5 118.5 . . ?
O1 C6 O2 125.4(5) . . ?
O1 C6 C4 123.7(5) . . ?
O2 C6 C4 110.9(5) . . ?
C6 O2 C7 118.4(4) . . ?
C12 C7 C8 121.5(5) . . ?
C12 C7 O2 117.1(4) . . ?
C8 C7 O2 121.2(5) . . ?
C9 C8 C7 118.3(5) . . ?
C9 C8 H8 120.9 . . ?
C7 C8 H8 120.9 . . ?
C8 C9 C10 121.8(5) . . ?
C8 C9 H9 119.1 . . ?
C10 C9 H9 119.1 . . ?
C11 C10 C9 118.2(5) . . ?
C11 C10 C13 121.6(4) . . ?
C9 C10 C13 119.9(4) . . ?
C10 C11 C12 120.6(5) . . ?
C10 C11 H11 119.7 . . ?
C12 C11 H11 119.7 . . ?
C7 C12 C11 119.6(5) . . ?
C7 C12 H12 120.2 . . ?
C11 C12 H12 120.2 . . ?
C10 C13 C25 115.5(4) . . ?
C10 C13 C26 112.9(4) . 1_554 ?
C25 C13 C26 105.9(4) . 1_554 ?
C10 C13 C14 108.6(4) . . ?
C25 C13 C14 99.8(4) . . ?
C26 C13 C14 113.6(4) 1_554 . ?
C19 C14 C15 120.9(5) . . ?
C19 C14 C13 111.6(4) . . ?
C15 C14 C13 127.3(5) . . ?
C16 C15 C14 117.4(5) . . ?
C16 C15 H15 121.3 . . ?
C14 C15 H15 121.3 . . ?
C15 C16 C17 122.7(5) . . ?
C15 C16 Br1 118.7(4) . . ?
C17 C16 Br1 118.7(4) . . ?
C18 C17 C16 119.1(5) . . ?
C18 C17 H17 120.5 . . ?
C16 C17 H17 120.5 . . ?
C17 C18 C19 119.1(5) . . ?
C17 C18 H18 120.4 . . ?
C19 C18 H18 120.4 . . ?
C14 C19 C18 120.9(5) . . ?
C14 C19 C20 108.8(5) . . ?
C18 C19 C20 130.2(5) . . ?
C21 C20 C25 120.5(5) . . ?
C21 C20 C19 131.3(5) . . ?
C25 C20 C19 108.2(5) . . ?
C22 C21 C20 119.8(5) . . ?
C22 C21 H21 120.1 . . ?
C20 C21 H21 120.1 . . ?
C23 C22 C21 119.1(5) . . ?
C23 C22 H22 120.4 . . ?
C21 C22 H22 120.4 . . ?
C22 C23 C24 121.8(5) . . ?
C22 C23 Br2 119.1(4) . . ?
C24 C23 Br2 119.1(4) . . ?
C25 C24 C23 118.2(5) . . ?
C25 C24 H24 120.9 . . ?
C23 C24 H24 120.9 . . ?
C24 C25 C20 120.5(5) . . ?
C24 C25 C13 127.9(5) . . ?
C20 C25 C13 111.5(4) . . ?
C27 C26 C31 118.3(5) . . ?
C27 C26 C13 122.3(5) . 1_556 ?
C31 C26 C13 119.2(4) . 1_556 ?
C26 C27 C28 120.9(5) . . ?
C26 C27 H27 119.5 . . ?
C28 C27 H27 119.5 . . ?
C29 C28 C27 119.1(5) . . ?
C29 C28 H28 120.5 . . ?
C27 C28 H28 120.5 . . ?
C30 C29 C28 121.5(5) . . ?
C30 C29 O3 120.5(5) . . ?
C28 C29 O3 118.0(5) . . ?
C29 C30 C31 119.2(5) . . ?
C29 C30 H30 120.4 . . ?
C31 C30 H30 120.4 . . ?
C30 C31 C26 121.0(5) . . ?
C30 C31 H31 119.5 . . ?
C26 C31 H31 119.5 . . ?
C32 O3 C29 117.3(4) . . ?
O4 C32 O3 125.2(5) . . ?
O4 C32 C33 124.2(5) . . ?
O3 C32 C33 110.5(4) . . ?
C37 C33 C34 119.3(5) . . ?
C37 C33 C32 118.1(5) . . ?
C34 C33 C32 122.6(5) . . ?
N2 C34 C33 122.6(5) . . ?
N2 C34 H34 118.7 . . ?
C33 C34 H34 118.7 . . ?
C34 N2 C35 118.1(5) . . ?
C34 N2 Cd1 121.9(4) . . ?
C35 N2 Cd1 120.1(4) . . ?
N2 C35 C36 123.0(5) . . ?
N2 C35 H35 118.5 . . ?
C36 C35 H35 118.5 . . ?
C35 C36 C37 118.9(5) . . ?
C35 C36 H36 120.6 . . ?
C37 C36 H36 120.6 . . ?
C33 C37 C36 118.1(5) . . ?
C33 C37 H37 121.0 . . ?
C36 C37 H37 121.0 . . ?
Cl1 C38 Cl2 110.9(4) . . ?
Cl1 C38 Cl3 110.4(4) . . ?
Cl2 C38 Cl3 110.3(4) . . ?
Cl1 C38 H38 108.4 . . ?
Cl2 C38 H38 108.4 . . ?
Cl3 C38 H38 108.4 . . ?
Cl4 C39 Cl6 114.6(4) . . ?
Cl4 C39 Cl5 113.4(5) . . ?
Cl6 C39 Cl5 112.4(5) . . ?
Cl4 C39 H39 105.1 . . ?
Cl6 C39 H39 105.1 . . ?
Cl5 C39 H39 105.1 . . ?
Cl9 C40 Cl7 110.6(4) . . ?
Cl9 C40 Cl8 109.3(4) . . ?
Cl7 C40 Cl8 110.3(4) . . ?
Cl9 C40 H40 108.8 . . ?
Cl7 C40 H40 108.8 . . ?
Cl8 C40 H40 108.8 . . ?
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
Cd1 N2 2.271(4) . ?
Cd1 N1 2.277(4) . ?
Cd1 Br3 2.5191(7) . ?
Cd1 Br4 2.5311(7) . ?
N1 C5 1.329(7) . ?
N1 C1 1.340(7) . ?
C1 C2 1.370(7) . ?
C1 H1 0.9300 . ?
C2 C3 1.383(8) . ?
C2 H2 0.9300 . ?
C3 C4 1.364(7) . ?
C3 H3 0.9300 . ?
C4 C5 1.385(7) . ?
C4 C6 1.506(8) . ?
C5 H5 0.9300 . ?
C6 O1 1.197(6) . ?
C6 O2 1.348(6) . ?
O2 C7 1.419(6) . ?
C7 C12 1.372(7) . ?
C7 C8 1.380(7) . ?
C8 C9 1.376(8) . ?
C8 H8 0.9300 . ?
C9 C10 1.400(7) . ?
C9 H9 0.9300 . ?
C10 C11 1.383(7) . ?
C10 C13 1.520(7) . ?
C11 C12 1.386(7) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C25 1.540(7) . ?
C13 C26 1.546(7) 1_554 ?
C13 C14 1.545(7) . ?
C14 C19 1.382(7) . ?
C14 C15 1.391(7) . ?
C15 C16 1.387(8) . ?
C15 H15 0.9300 . ?
C16 C17 1.392(8) . ?
C16 Br1 1.900(5) . ?
C17 C18 1.383(8) . ?
C17 H17 0.9300 . ?
C18 C19 1.395(7) . ?
C18 H18 0.9300 . ?
C19 C20 1.479(7) . ?
C20 C21 1.392(7) . ?
C20 C25 1.395(7) . ?
C21 C22 1.386(7) . ?
C21 H21 0.9300 . ?
C22 C23 1.387(8) . ?
C22 H22 0.9300 . ?
C23 C24 1.403(7) . ?
C23 Br2 1.895(5) . ?
C24 C25 1.381(7) . ?
C24 H24 0.9300 . ?
C26 C27 1.375(7) . ?
C26 C31 1.403(7) . ?
C26 C13 1.546(7) 1_556 ?
C27 C28 1.390(7) . ?
C27 H27 0.9300 . ?
C28 C29 1.373(7) . ?
C28 H28 0.9300 . ?
C29 C30 1.368(8) . ?
C29 O3 1.421(6) . ?
C30 C31 1.374(7) . ?
C30 H30 0.9300 . ?
C31 H31 0.9300 . ?
O3 C32 1.345(6) . ?
C32 O4 1.199(6) . ?
C32 C33 1.500(8) . ?
C33 C37 1.385(7) . ?
C33 C34 1.386(7) . ?
C34 N2 1.339(6) . ?
C34 H34 0.9300 . ?
N2 C35 1.337(7) . ?
C35 C36 1.384(7) . ?
C35 H35 0.9300 . ?
C36 C37 1.396(7) . ?
C36 H36 0.9300 . ?
C37 H37 0.9300 . ?
C38 Cl1 1.741(7) . ?
C38 Cl2 1.756(6) . ?
C38 Cl3 1.762(7) . ?
C38 H38 0.9800 . ?
C39 Cl4 1.688(8) . ?
C39 Cl6 1.720(8) . ?
C39 Cl5 1.755(7) . ?
C39 H39 0.9800 . ?
C40 Cl9 1.734(6) . ?
C40 Cl7 1.747(7) . ?
C40 Cl8 1.754(7) . ?
C40 H40 0.9800 . ?
