#------------------------------------------------------------------------------
#$Date: 2016-03-26 15:42:28 +0100 (Sat 26 de Mar de 2016) $
#$Revision: 180351 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/20/7202012.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_7202012
loop_
_publ_author_name
'Song, Yu-Fei'
'Kitson, Phil J.'
'Long, De-Liang'
'Parenty, Alexis D. C.'
'Thatcher, Robert J.'
'Cronin, Leroy'
_publ_section_title
;
 Supramolecular self-assembly and anion-dependence of copper(II)
 complexes with cationic dihydro-imidazo phenanthridinium
 (DIP)-containing ligands
;
_journal_issue                   9
_journal_name_full               CrystEngComm
_journal_page_first              1243
_journal_paper_doi               10.1039/b802541j
_journal_volume                  10
_journal_year                    2008
_chemical_formula_sum            'C84 H71 B4 Br3 Cu F16 N12'
_chemical_formula_weight         1899.04
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 100.746(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   28.553(2)
_cell_length_b                   8.2201(6)
_cell_length_c                   16.7163(13)
_cell_measurement_reflns_used    3386
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      21.4
_cell_measurement_theta_min      2.9
_cell_volume                     3854.7(5)
_computing_cell_refinement       Apex
_computing_data_collection       Apex
_computing_data_reduction        Apex
_computing_molecular_graphics    Mercury
_computing_publication_material  Wingx
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Bruker Apex CCD'
_diffrn_measurement_method       'ω & π 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  0.0676
_diffrn_reflns_av_sigmaI/netI    0.0598
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            23213
_diffrn_reflns_theta_full        22.18
_diffrn_reflns_theta_max         22.18
_diffrn_reflns_theta_min         1.45
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.934
_exptl_absorpt_correction_T_max  0.8606
_exptl_absorpt_correction_T_min  0.7735
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.636
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1914
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.55
_refine_diff_density_min         -0.42
_refine_diff_density_rms         0.07
_refine_ls_extinction_coef       0.00048(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.145
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     562
_refine_ls_number_reflns         4747
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.145
_refine_ls_R_factor_all          0.0805
_refine_ls_R_factor_gt           0.0590
_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)+(0.0000P)²+15.2444P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1068
_refine_ls_wR_factor_ref         0.1137
_reflns_number_gt                3725
_reflns_number_total             4747
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b802541j.txt
_cod_data_source_block           ys026013
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_sg_symbol_H-M      P21/c
_cod_database_code               7202012
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Cu1 Cu 0.0000 0.5000 0.5000 0.0256(3) Uani 1 2 d S . .
Br1 Br 0.05000(7) 0.67926(17) 0.59797(8) 0.0298(4) Uani 0.592(2) 1 d P A 1
Br1' Br 0.02164(10) 0.7034(2) 0.59975(11) 0.0246(5) Uani 0.408(2) 1 d P A 2
Br2 Br 0.13929(5) 0.72364(19) 0.65342(9) 0.0305(6) Uani 0.408(2) 1 d P A 2
Br3 Br 0.3626(5) -0.0255(18) 0.4423(8) 0.044(4) Uiso 0.05 1 d P B 2
B1 B 0.4130(3) 0.1882(9) 0.2465(4) 0.0273(18) Uani 1 1 d . . .
B2 B 0.1381(3) 0.4249(10) 0.3803(5) 0.035(2) Uani 1 1 d . . .
F1 F 0.39630(12) 0.2515(5) 0.16880(19) 0.0444(10) Uani 1 1 d . . .
F2 F 0.45841(12) 0.1266(5) 0.2512(2) 0.0472(11) Uani 1 1 d . . .
F3 F 0.38234(13) 0.0644(4) 0.2610(2) 0.0466(10) Uani 1 1 d . . .
F4 F 0.41371(14) 0.3105(5) 0.3032(2) 0.0508(11) Uani 1 1 d . . .
F5 F 0.17351(16) 0.3121(6) 0.3885(3) 0.0795(15) Uani 1 1 d . . .
F6 F 0.09461(15) 0.3451(6) 0.3630(2) 0.0678(13) Uani 1 1 d . . .
F7 F 0.14067(14) 0.5058(5) 0.4534(2) 0.0609(12) Uani 1 1 d . . .
F8 F 0.1406(2) 0.5311(6) 0.3205(3) 0.1029(19) Uani 1 1 d . . .
N1 N 0.17408(18) 0.0223(6) 0.5004(3) 0.0272(13) Uani 1 1 d . . .
N2 N 0.11272(18) 0.1342(6) 0.5422(3) 0.0289(13) Uani 1 1 d . . .
N3 N 0.00612(18) 0.3308(6) 0.5838(3) 0.0229(12) Uani 1 1 d . A .
N4 N 0.34739(18) 0.7631(6) 0.6734(3) 0.0256(12) Uani 1 1 d . . .
N5 N 0.41783(18) 0.7075(6) 0.6463(3) 0.0279(13) Uani 1 1 d . . .
N6 N 0.43452(18) 0.8152(6) 0.4973(3) 0.0333(13) Uani 1 1 d . . .
C7 C 0.2434(2) 0.1842(7) 0.6105(3) 0.0232(15) Uani 1 1 d . C .
C11 C 0.1823(2) 0.2695(7) 0.6863(3) 0.0268(15) Uani 1 1 d . . .
H11 H 0.1499 0.2717 0.6924 0.032 Uiso 1 1 calc R . .
C23 C 0.2774(2) 0.8404(7) 0.7269(3) 0.0278(16) Uani 1 1 d . . .
H23 H 0.2965 0.9036 0.7681 0.033 Uiso 1 1 calc R . .
C22 C 0.2985(2) 0.7550(7) 0.6699(3) 0.0246(15) Uani 1 1 d . . .
C12 C 0.1944(2) 0.1967(7) 0.6174(3) 0.0245(15) Uani 1 1 d . . .
C5 C 0.3041(2) 0.0684(7) 0.5348(4) 0.0278(16) Uani 1 1 d . C 1
H5 H 0.3289 0.1231 0.5705 0.033 Uiso 1 1 calc R C 1
C34 C 0.3712(2) 0.6824(7) 0.6234(3) 0.0232(15) Uani 1 1 d . . .
C38 C 0.4695(2) 0.7258(7) 0.5413(3) 0.0257(15) Uani 1 1 d . . .
C3 C 0.2794(3) -0.1116(8) 0.4223(4) 0.0345(17) Uani 1 1 d . C 1
H3 H 0.2874 -0.1779 0.3803 0.041 Uiso 1 1 calc R C 1
C29 C 0.2686(2) 0.4901(7) 0.4846(3) 0.0302(16) Uani 1 1 d . . .
H29 H 0.2350 0.4825 0.4793 0.036 Uiso 1 1 calc R . .
C16 C 0.0855(2) 0.2775(7) 0.5581(4) 0.0329(16) Uani 1 1 d . A .
H16A H 0.0715 0.3292 0.5055 0.039 Uiso 1 1 calc R . .
H16B H 0.1075 0.3570 0.5900 0.039 Uiso 1 1 calc R . .
C24 C 0.2287(2) 0.8321(7) 0.7228(4) 0.0316(17) Uani 1 1 d . A .
H24 H 0.2143 0.8879 0.7617 0.038 Uiso 1 1 calc R . .
C1 C 0.2214(2) 0.0023(7) 0.4923(3) 0.0263(15) Uani 1 1 d . C .
C42 C 0.4451(3) 0.8879(8) 0.4301(4) 0.0360(18) Uani 1 1 d . . .
H42 H 0.4213 0.9533 0.3980 0.043 Uiso 1 1 calc R . .
C6 C 0.2568(2) 0.0884(7) 0.5452(3) 0.0240(15) Uani 1 1 d . . .
C36 C 0.4271(2) 0.8336(8) 0.7096(4) 0.0332(17) Uani 1 1 d . . .
H36A H 0.4357 0.9382 0.6868 0.040 Uiso 1 1 calc R . .
H36B H 0.4531 0.8004 0.7544 0.040 Uiso 1 1 calc R . .
C27 C 0.2709(2) 0.6621(7) 0.6086(3) 0.0237(15) Uani 1 1 d . . .
C13 C 0.1604(2) 0.1223(7) 0.5546(4) 0.0277(16) Uani 1 1 d . . .
C9 C 0.2641(2) 0.3366(7) 0.7359(4) 0.0315(17) Uani 1 1 d . C .
H9 H 0.2874 0.3902 0.7749 0.038 Uiso 1 1 calc R . .
C39 C 0.5144(2) 0.7088(8) 0.5227(4) 0.0350(17) Uani 1 1 d . . .
H39 H 0.5385 0.6470 0.5563 0.042 Uiso 1 1 calc R . .
C40 C 0.5230(3) 0.7861(8) 0.4524(4) 0.045(2) Uani 1 1 d . . .
H40 H 0.5533 0.7784 0.4372 0.053 Uiso 1 1 calc R . .
C31 C 0.3395(3) 0.4256(7) 0.4346(4) 0.0347(17) Uani 1 1 d . . .
H31 H 0.3546 0.3733 0.3955 0.042 Uiso 1 1 calc R . .
C37 C 0.4578(2) 0.6403(8) 0.6152(3) 0.0313(16) Uani 1 1 d . . .
H37A H 0.4510 0.5247 0.6012 0.038 Uiso 1 1 calc R . .
H37B H 0.4863 0.6437 0.6591 0.038 Uiso 1 1 calc R . .
C18 C 0.0499(2) 0.1220(8) 0.6638(4) 0.0336(17) Uani 1 1 d . A .
H18 H 0.0777 0.0565 0.6765 0.040 Uiso 1 1 calc R . .
C10 C 0.2165(2) 0.3376(7) 0.7451(4) 0.0313(16) Uani 1 1 d . . .
H10 H 0.2078 0.3854 0.7920 0.038 Uiso 1 1 calc R . .
C19 C 0.0128(3) 0.1017(8) 0.7048(4) 0.0339(17) Uani 1 1 d . . .
H19 H 0.0150 0.0226 0.7467 0.041 Uiso 1 1 calc R . .
C8 C 0.2776(2) 0.2583(7) 0.6704(3) 0.0262(15) Uani 1 1 d . . .
H8 H 0.3103 0.2549 0.6661 0.031 Uiso 1 1 calc R C .
C2 C 0.2329(2) -0.0987(7) 0.4312(4) 0.0333(17) Uani 1 1 d . . .
H2 H 0.2086 -0.1575 0.3963 0.040 Uiso 1 1 calc R C 1
C21 C -0.0292(2) 0.3075(7) 0.6243(3) 0.0281(16) Uani 1 1 d . . .
H21 H -0.0571 0.3719 0.6103 0.034 Uiso 1 1 calc R A .
C33 C 0.3443(2) 0.5870(7) 0.5569(3) 0.0229(15) Uani 1 1 d . . .
C4 C 0.3150(2) -0.0283(8) 0.4744(4) 0.0339(17) Uani 1 1 d . C 1
H4 H 0.3473 -0.0387 0.4680 0.041 Uiso 1 1 calc R C 1
C20 C -0.0270(2) 0.1952(8) 0.6853(3) 0.0300(16) Uani 1 1 d . A .
H20 H -0.0528 0.1827 0.7134 0.036 Uiso 1 1 calc R . .
C32 C 0.3661(2) 0.5114(7) 0.4974(3) 0.0307(16) Uani 1 1 d . . .
H32 H 0.3996 0.5201 0.5010 0.037 Uiso 1 1 calc R . .
C26 C 0.2213(2) 0.6588(8) 0.6055(4) 0.0319(17) Uani 1 1 d . A .
H26 H 0.2017 0.5981 0.5639 0.038 Uiso 1 1 calc R . .
C28 C 0.2948(2) 0.5778(7) 0.5500(3) 0.0272(16) Uani 1 1 d . . .
C25 C 0.2007(2) 0.7410(7) 0.6611(4) 0.0314(16) Uani 1 1 d . . .
C30 C 0.2903(3) 0.4154(7) 0.4285(4) 0.0372(18) Uani 1 1 d . . .
H30 H 0.2717 0.3561 0.3851 0.045 Uiso 1 1 calc R . .
C17 C 0.0461(2) 0.2393(7) 0.6037(3) 0.0239(15) Uani 1 1 d . . .
C14 C 0.1329(2) -0.0471(8) 0.4441(4) 0.0372(18) Uani 1 1 d . . .
H14A H 0.1329 -0.1674 0.4470 0.045 Uiso 1 1 calc R . .
H14B H 0.1328 -0.0132 0.3873 0.045 Uiso 1 1 calc R . .
C35 C 0.3802(2) 0.8469(8) 0.7388(4) 0.0304(16) Uani 1 1 d . . .
H35A H 0.3816 0.7917 0.7918 0.036 Uiso 1 1 calc R . .
H35B H 0.3709 0.9619 0.7437 0.036 Uiso 1 1 calc R . .
C15 C 0.0906(2) 0.0249(8) 0.4758(4) 0.0342(17) Uani 1 1 d . . .
H15A H 0.0694 0.0862 0.4325 0.041 Uiso 1 1 calc R . .
H15B H 0.0718 -0.0615 0.4966 0.041 Uiso 1 1 calc R . .
C41 C 0.4871(3) 0.8729(8) 0.4061(4) 0.0383(18) Uani 1 1 d . . .
H41 H 0.4919 0.9225 0.3569 0.046 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Cu Cu 0.3201 1.2651 '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'
B B 0.0013 0.0007 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
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
N3 Cu1 N3 180.000(1) 3_566 . ?
N3 Cu1 Br1' 91.21(14) 3_566 3_566 ?
N3 Cu1 Br1' 88.79(14) . 3_566 ?
N3 Cu1 Br1' 88.79(14) 3_566 . ?
N3 Cu1 Br1' 91.21(14) . . ?
Br1' Cu1 Br1' 180.0 3_566 . ?
N3 Cu1 Br1 89.20(14) 3_566 3_566 ?
N3 Cu1 Br1 90.80(14) . 3_566 ?
Br1' Cu1 Br1 19.97(4) 3_566 3_566 ?
Br1' Cu1 Br1 160.03(4) . 3_566 ?
N3 Cu1 Br1 90.80(14) 3_566 . ?
N3 Cu1 Br1 89.20(14) . . ?
Br1' Cu1 Br1 160.03(4) 3_566 . ?
Br1' Cu1 Br1 19.97(4) . . ?
Br1 Cu1 Br1 180.0 3_566 . ?
F2 B1 F4 109.6(6) . . ?
F2 B1 F3 109.7(5) . . ?
F4 B1 F3 109.9(5) . . ?
F2 B1 F1 110.1(5) . . ?
F4 B1 F1 109.0(5) . . ?
F3 B1 F1 108.5(5) . . ?
F8 B2 F5 112.2(7) . . ?
F8 B2 F7 110.2(7) . . ?
F5 B2 F7 108.9(6) . . ?
F8 B2 F6 108.9(6) . . ?
F5 B2 F6 108.6(6) . . ?
F7 B2 F6 108.0(6) . . ?
C13 N1 C1 123.4(5) . . ?
C13 N1 C14 111.8(5) . . ?
C1 N1 C14 124.3(5) . . ?
C13 N2 C16 126.1(5) . . ?
C13 N2 C15 110.6(5) . . ?
C16 N2 C15 117.3(5) . . ?
C21 N3 C17 118.6(5) . . ?
C21 N3 Cu1 119.4(4) . . ?
C17 N3 Cu1 121.9(4) . . ?
C34 N4 C22 124.7(5) . . ?
C34 N4 C35 111.5(5) . . ?
C22 N4 C35 123.4(5) . . ?
C34 N5 C37 130.6(5) . . ?
C34 N5 C36 110.6(5) . . ?
C37 N5 C36 118.6(5) . . ?
C38 N6 C42 115.9(6) . . ?
C8 C7 C12 118.3(5) . . ?
C8 C7 C6 121.8(6) . . ?
C12 C7 C6 119.9(5) . . ?
C10 C11 C12 120.9(6) . . ?
C24 C23 C22 119.7(6) . . ?
N4 C22 C27 118.8(5) . . ?
N4 C22 C23 120.1(5) . . ?
C27 C22 C23 121.1(6) . . ?
C11 C12 C13 123.3(6) . . ?
C11 C12 C7 119.6(5) . . ?
C13 C12 C7 116.9(5) . . ?
C4 C5 C6 121.2(6) . . ?
N5 C34 N4 109.8(5) . . ?
N5 C34 C33 131.3(6) . . ?
N4 C34 C33 119.0(6) . . ?
N6 C38 C39 124.0(6) . . ?
N6 C38 C37 116.5(6) . . ?
C39 C38 C37 119.5(6) . . ?
C2 C3 C4 120.4(6) . . ?
C30 C29 C28 121.6(6) . . ?
N2 C16 C17 113.4(5) . . ?
C23 C24 C25 119.7(6) . . ?
N1 C1 C2 120.3(6) . . ?
N1 C1 C6 118.5(5) . . ?
C2 C1 C6 121.2(6) . . ?
C41 C42 N6 123.9(6) . . ?
C5 C6 C1 117.4(6) . . ?
C5 C6 C7 123.4(6) . . ?
C1 C6 C7 119.1(6) . . ?
N5 C36 C35 103.4(5) . . ?
C22 C27 C26 117.5(5) . . ?
C22 C27 C28 118.7(6) . . ?
C26 C27 C28 123.8(5) . . ?
N1 C13 N2 110.9(5) . . ?
N1 C13 C12 121.2(6) . . ?
N2 C13 C12 127.9(6) . . ?
C8 C9 C10 120.7(6) . . ?
C38 C39 C40 117.3(6) . . ?
C41 C40 C39 119.0(7) . . ?
C32 C31 C30 119.5(6) . . ?
N5 C37 C38 115.2(5) . . ?
C19 C18 C17 118.9(6) . . ?
C11 C10 C9 119.8(6) . . ?
C20 C19 C18 120.0(6) . . ?
C9 C8 C7 120.5(6) . . ?
C3 C2 C1 119.3(6) . . ?
N3 C21 C20 123.0(6) . . ?
C28 C33 C32 119.3(5) . . ?
C28 C33 C34 118.2(5) . . ?
C32 C33 C34 122.4(6) . . ?
C5 C4 C3 120.5(6) . . ?
C19 C20 C21 118.6(6) . . ?
C31 C32 C33 120.9(6) . . ?
C25 C26 C27 121.6(6) . . ?
C33 C28 C29 118.3(6) . . ?
C33 C28 C27 120.5(5) . . ?
C29 C28 C27 121.1(6) . . ?
C26 C25 C24 120.4(6) . . ?
C26 C25 Br2 117.7(5) . . ?
C24 C25 Br2 121.9(5) . . ?
C29 C30 C31 120.3(6) . . ?
N3 C17 C18 120.9(6) . . ?
N3 C17 C16 115.8(5) . . ?
C18 C17 C16 123.3(6) . . ?
N1 C14 C15 102.5(5) . . ?
N4 C35 C36 101.9(5) . . ?
N2 C15 C14 103.9(5) . . ?
C42 C41 C40 119.8(7) . . ?
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
Cu1 N3 1.959(4) 3_566 ?
Cu1 N3 1.959(4) . ?
Cu1 Br1' 2.3605(18) 3_566 ?
Cu1 Br1' 2.3605(18) . ?
Cu1 Br1 2.4534(14) 3_566 ?
Cu1 Br1 2.4534(14) . ?
Br2 C25 1.739(7) . ?
B1 F2 1.379(8) . ?
B1 F4 1.380(8) . ?
B1 F3 1.393(8) . ?
B1 F1 1.398(7) . ?
B2 F8 1.339(8) . ?
B2 F5 1.360(9) . ?
B2 F7 1.382(8) . ?
B2 F6 1.387(9) . ?
N1 C13 1.335(7) . ?
N1 C1 1.391(7) . ?
N1 C14 1.476(7) . ?
N2 C13 1.342(7) . ?
N2 C16 1.463(7) . ?
N2 C15 1.475(7) . ?
N3 C21 1.328(7) . ?
N3 C17 1.356(7) . ?
N4 C34 1.346(7) . ?
N4 C22 1.388(7) . ?
N4 C35 1.471(7) . ?
N5 C34 1.332(7) . ?
N5 C37 1.449(7) . ?
N5 C36 1.469(7) . ?
N6 C38 1.343(7) . ?
N6 C42 1.356(8) . ?
C7 C8 1.401(8) . ?
C7 C12 1.428(8) . ?
C7 C6 1.453(8) . ?
C11 C10 1.369(8) . ?
C11 C12 1.398(8) . ?
C23 C24 1.379(8) . ?
C23 C22 1.407(8) . ?
C22 C27 1.397(8) . ?
C12 C13 1.427(8) . ?
C5 C4 1.367(8) . ?
C5 C6 1.403(8) . ?
C34 C33 1.456(8) . ?
C38 C39 1.382(8) . ?
C38 C37 1.512(8) . ?
C3 C2 1.367(8) . ?
C3 C4 1.391(9) . ?
C29 C30 1.361(8) . ?
C29 C28 1.404(8) . ?
C16 C17 1.505(8) . ?
C24 C25 1.400(8) . ?
C1 C2 1.403(8) . ?
C1 C6 1.404(8) . ?
C42 C41 1.341(9) . ?
C36 C35 1.512(8) . ?
C27 C26 1.409(8) . ?
C27 C28 1.466(8) . ?
C9 C8 1.386(8) . ?
C9 C10 1.395(8) . ?
C39 C40 1.396(9) . ?
C40 C41 1.365(9) . ?
C31 C32 1.370(8) . ?
C31 C30 1.394(9) . ?
C18 C19 1.376(8) . ?
C18 C17 1.382(8) . ?
C19 C20 1.361(8) . ?
C21 C20 1.369(8) . ?
C33 C28 1.399(8) . ?
C33 C32 1.413(8) . ?
C26 C25 1.366(8) . ?
C14 C15 1.528(8) . ?
