#------------------------------------------------------------------------------
#$Date: 2021-02-05 00:03:41 +0100 (vie 05 de feb de 2021) $
#$Revision: 261627 $
#$URL: svn://www.crystallography.net/cod/cif/7/24/15/7241529.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_7241529
loop_
_publ_author_name
'Wang, Lingyao'
'Jiang, Tao'
'Duttwyler, Simon'
'Zhang, Yuanbin'
_publ_section_title
;
 Supramolecular Cu(ii)--dipyridyl frameworks featuring weakly coordinating
 dodecaborate dianions for selective gas separation
;
_journal_issue                   2
_journal_name_full               CrystEngComm
_journal_page_first              282
_journal_page_last               291
_journal_paper_doi               10.1039/D0CE01395A
_journal_volume                  23
_journal_year                    2021
_chemical_formula_sum            'C48 H36 B12 Cl12 Cu2 N6 O4'
_chemical_formula_weight         1443.03
_chemical_name_systematic        BSF-72
_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
_audit_update_record
;
2020-11-05 deposited with the CCDC.	2020-11-23 downloaded from the CCDC.
;
_cell_angle_alpha                94.689(4)
_cell_angle_beta                 104.281(4)
_cell_angle_gamma                115.487(4)
_cell_formula_units_Z            1
_cell_length_a                   13.943(3)
_cell_length_b                   14.893(3)
_cell_length_c                   15.010(3)
_cell_measurement_reflns_used    3506
_cell_measurement_temperature    296.(2)
_cell_measurement_theta_max      24.7720
_cell_measurement_theta_min      2.3273
_cell_volume                     2663.0(10)
_computing_cell_refinement       'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_data_reduction        'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_molecular_graphics    'shelXle (C.B. Huebschle, rev 924)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296.(2)
_diffrn_detector_area_resol_mean 10.4167
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Bruker D8 VENTURE PHOTON 100'
_diffrn_radiation_monochromator  'Helios Multi-layer Optic'
_diffrn_radiation_type           ' Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0460
_diffrn_reflns_av_unetI/netI     0.1298
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            14419
_diffrn_reflns_theta_full        25.46
_diffrn_reflns_theta_max         25.46
_diffrn_reflns_theta_min         2.08
_diffrn_source                   TXS
_diffrn_source_type              'Rotaing Anode'
_exptl_absorpt_coefficient_mu    0.728
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6165
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction
;
_exptl_crystal_density_diffrn    0.900
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             720
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.150
_refine_diff_density_max         1.489
_refine_diff_density_min         -0.401
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     373
_refine_ls_number_reflns         9750
_refine_ls_number_restraints     389
_refine_ls_restrained_S_all      1.068
_refine_ls_R_factor_all          0.1483
_refine_ls_R_factor_gt           0.0754
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0700P)²+7.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2213
_refine_ls_wR_factor_ref         0.2465
_reflns_number_gt                4264
_reflns_number_total             9750
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0ce01395a2.cif
_cod_data_source_block           ZH_ZJU4
_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.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7241528--7241530.cif.
;
_cod_original_cell_volume        2663.0(8)
_cod_database_code               7241529
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu Cu1 0.59281(9) 0.95941(7) 0.52920(6) 0.0568(3) Uani d U . . 1 . .
Cl Cl1 -0.1973(2) 0.24889(15) -0.02137(15) 0.0768(7) Uani d U . . 1 . .
B B1 -0.0939(9) 0.3797(7) -0.0106(6) 0.059(2) Uani d U . . 1 . .
C C1 0.4291(7) 0.8111(6) 0.6034(5) 0.058(2) Uani d U . . 1 . .
H H1 0.458384 0.866108 0.653517 0.069 Uiso calc U . R 1 . .
N N1 0.4732(5) 0.8233(4) 0.5321(4) 0.0525(16) Uani d U . . 1 . .
Cl Cl2 0.0977(2) 0.34785(17) 0.11613(16) 0.0871(8) Uani d U . . 1 . .
B B2 0.0058(8) 0.4082(6) -0.0690(6) 0.056(2) Uani d U . . 1 . .
C C2 0.3429(7) 0.7208(6) 0.6051(5) 0.056(2) Uani d U . . 1 . .
H H2 0.315259 0.715775 0.655893 0.067 Uiso calc U . R 1 . .
N N2 -0.2800(5) 0.0898(4) 0.5236(4) 0.0514(16) Uani d U . . 1 . .
Cl Cl3 0.0126(2) 0.31128(16) -0.14369(14) 0.0725(7) Uani d U . . 1 . .
O O3 0.4953(4) 0.9570(3) 0.4093(3) 0.0568(3) Uani d U . . 1 . .
B B3 0.0480(8) 0.4270(7) 0.0565(6) 0.057(2) Uani d U . . 1 . .
N N3 0.6875(6) 0.9628(5) 0.6551(4) 0.0606(18) Uani d U . . 1 . .
C C3 0.2958(7) 0.6355(5) 0.5301(5) 0.0482(18) Uani d U . . 1 . .
Cl Cl4 0.2106(2) 0.61865(17) 0.21619(13) 0.0731(7) Uani d U . . 1 . .
O O4 0.6711(6) 0.8635(5) 0.4375(4) 0.0882(19) Uani d U . . 1 . .
B B4 0.1010(8) 0.5560(6) 0.1052(6) 0.053(2) Uani d U . . 1 . .
C C4 0.3408(7) 0.6477(6) 0.4585(5) 0.055(2) Uani d U . . 1 . .
H H4 0.313487 0.592754 0.408638 0.066 Uiso calc U . R 1 . .
B B5 0.1272(8) 0.5179(7) 0.0019(6) 0.058(2) Uani d U . . 1 . .
C C5 0.4269(7) 0.7406(6) 0.4584(5) 0.056(2) Uani d U . . 1 . .
H H5 0.453964 0.747143 0.407315 0.067 Uiso calc U . R 1 . .
Cl Cl5 0.2665(2) 0.54092(19) 0.00442(18) 0.0874(8) Uani d U . . 1 . .
B B6 0.0352(8) 0.5292(7) -0.0978(6) 0.054(2) Uani d U . . 1 . .
C C6 0.2006(7) 0.5401(6) 0.5277(5) 0.055(2) Uani d U . . 1 . .
Cl Cl6 0.0753(2) 0.56199(17) -0.20013(14) 0.0783(7) Uani d U . . 1 . .
C C7 0.1845(7) 0.5065(6) 0.6117(5) 0.058(2) Uani d U . . 1 . .
H H7 0.238361 0.545129 0.669086 0.069 Uiso calc U . R 1 . .
C C8 0.0920(7) 0.4185(6) 0.6112(5) 0.056(2) Uani d U . . 1 . .
H H8 0.084879 0.398331 0.667261 0.068 Uiso calc U . R 1 . .
C C9 0.0098(7) 0.3607(6) 0.5260(5) 0.0537(19) Uani d U . . 1 . .
C C10 0.0229(7) 0.3910(6) 0.4421(5) 0.060(2) Uani d U . . 1 . .
H H10 -0.03053 0.351966 0.384698 0.072 Uiso calc U . R 1 . .
C C11 0.1184(7) 0.4817(6) 0.4456(5) 0.061(2) Uani d U . . 1 . .
H H11 0.125276 0.502201 0.389614 0.074 Uiso calc U . R 1 . .
C C12 -0.0889(7) 0.2682(6) 0.5243(5) 0.0515(18) Uani d U . . 1 . .
C C13 -0.1382(7) 0.2636(6) 0.5953(5) 0.054(2) Uani d U . . 1 . .
H H13 -0.108249 0.31978 0.644465 0.065 Uiso calc U . R 1 . .
C C14 -0.2324(7) 0.1747(6) 0.5925(5) 0.054(2) Uani d U . . 1 . .
H H14 -0.264146 0.173699 0.640362 0.065 Uiso calc U . R 1 . .
C C15 -0.2339(7) 0.0955(6) 0.4537(5) 0.056(2) Uani d U . . 1 . .
H H15 -0.267299 0.03919 0.404125 0.067 Uiso calc U . R 1 . .
C C16 -0.1401(7) 0.1801(6) 0.4513(5) 0.062(2) Uani d U . . 1 . .
H H16 -0.110805 0.179127 0.402074 0.075 Uiso calc U . R 1 . .
C C17 0.6973(8) 1.0155(7) 0.7366(5) 0.069(2) Uani d U . . 1 . .
H H17 0.651883 1.046713 0.734834 0.083 Uiso calc U . R 1 . .
C C18 0.7705(8) 1.0266(7) 0.8234(6) 0.077(3) Uani d U . . 1 . .
H H18 0.773673 1.064221 0.87759 0.093 Uiso calc U . R 1 . .
C C19 0.8388(8) 0.9803(6) 0.8276(5) 0.076(3) Uani d U . . 1 . .
C C20 0.8282(11) 0.9269(9) 0.7419(6) 0.129(5) Uani d U . . 1 . .
H H20 0.872489 0.894925 0.740906 0.155 Uiso calc U . R 1 . .
C C21 0.7548(10) 0.9206(9) 0.6598(6) 0.114(4) Uani d U . . 1 . .
H H21 0.751541 0.885005 0.604325 0.137 Uiso calc U . R 1 . .
C C22 0.9215(9) 0.9917(6) 0.9175(6) 0.083(3) Uani d U . . 1 . .
C C23 0.9475(11) 0.9142(8) 0.9351(7) 0.130(5) Uani d U . . 1 . .
H H23 0.910887 0.853804 0.889852 0.155 Uiso calc U . R 1 . .
C C24 0.9743(10) 1.0778(7) 0.9828(6) 0.107(4) Uani d U . . 1 . .
H H24 0.958899 1.131848 0.97359 0.128 Uiso calc U . R 1 . .
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'
B B 0.0013 0.0007 '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'
Cu Cu 0.3201 1.2651 '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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O3 Cu1 N3 . . 177.2(3) ?
O3 Cu1 N1 . . 89.6(2) ?
N3 Cu1 N1 . . 89.4(2) ?
O3 Cu1 N2 . 1_665 91.8(2) ?
N3 Cu1 N2 . 1_665 89.4(2) ?
N1 Cu1 N2 . 1_665 175.1(3) ?
O3 Cu1 O3 . 2_676 82.27(19) ?
N3 Cu1 O3 . 2_676 95.1(2) ?
N1 Cu1 O3 . 2_676 90.9(2) ?
N2 Cu1 O3 1_665 2_676 93.9(2) ?
O3 Cu1 O4 . . 89.6(2) ?
N3 Cu1 O4 . . 93.0(2) ?
N1 Cu1 O4 . . 88.4(2) ?
N2 Cu1 O4 1_665 . 86.9(2) ?
O3 Cu1 O4 2_676 . 171.86(18) ?
B2 B1 B3 . . 61.2(5) ?
B2 B1 B5 . 2_565 108.4(6) ?
B3 B1 B5 . 2_565 107.6(6) ?
B2 B1 B4 . 2_565 60.2(5) ?
B3 B1 B4 . 2_565 108.8(7) ?
B5 B1 B4 2_565 2_565 60.0(5) ?
B2 B1 B6 . 2_565 109.0(7) ?
B3 B1 B6 . 2_565 59.3(5) ?
B5 B1 B6 2_565 2_565 60.2(5) ?
B4 B1 B6 2_565 2_565 108.6(6) ?
B2 B1 Cl1 . . 121.4(6) ?
B3 B1 Cl1 . . 121.6(6) ?
B5 B1 Cl1 2_565 . 121.6(7) ?
B4 B1 Cl1 2_565 . 121.7(6) ?
B6 B1 Cl1 2_565 . 120.9(6) ?
N1 C1 C2 . . 122.8(7) ?
N1 C1 H1 . . 118.6 ?
C2 C1 H1 . . 118.6 ?
C1 N1 C5 . . 117.0(7) ?
C1 N1 Cu1 . . 121.1(5) ?
C5 N1 Cu1 . . 121.7(5) ?
B1 B2 B5 . . 107.2(6) ?
B1 B2 B4 . 2_565 61.0(5) ?
B5 B2 B4 . 2_565 107.2(6) ?
B1 B2 B6 . . 107.6(7) ?
B5 B2 B6 . . 60.5(5) ?
B4 B2 B6 2_565 . 58.6(5) ?
B1 B2 B3 . . 60.1(5) ?
B5 B2 B3 . . 59.0(5) ?
B4 B2 B3 2_565 . 108.5(7) ?
B6 B2 B3 . . 107.7(6) ?
B1 B2 Cl3 . . 122.5(6) ?
B5 B2 Cl3 . . 122.0(7) ?
B4 B2 Cl3 2_565 . 121.4(5) ?
B6 B2 Cl3 . . 121.0(6) ?
B3 B2 Cl3 . . 122.7(6) ?
C1 C2 C3 . . 120.4(7) ?
C1 C2 H2 . . 119.8 ?
C3 C2 H2 . . 119.8 ?
C15 N2 C14 . . 116.5(7) ?
C15 N2 Cu1 . 1_445 121.7(5) ?
C14 N2 Cu1 . 1_445 121.7(5) ?
Cu1 O3 Cu1 . 2_676 97.73(19) ?
B4 B3 B5 . . 61.2(5) ?
B4 B3 B6 . 2_565 59.5(5) ?
B5 B3 B6 . 2_565 108.3(6) ?
B4 B3 B1 . . 108.0(7) ?
B5 B3 B1 . . 106.7(6) ?
B6 B3 B1 2_565 . 60.8(5) ?
B4 B3 B2 . . 108.9(6) ?
B5 B3 B2 . . 59.8(5) ?
B6 B3 B2 2_565 . 108.1(7) ?
B1 B3 B2 . . 58.7(5) ?
B4 B3 Cl2 . . 121.7(6) ?
B5 B3 Cl2 . . 122.4(7) ?
B6 B3 Cl2 2_565 . 121.2(6) ?
B1 B3 Cl2 . . 121.7(6) ?
B2 B3 Cl2 . . 121.6(6) ?
C21 N3 C17 . . 116.2(7) ?
C21 N3 Cu1 . . 119.6(6) ?
C17 N3 Cu1 . . 123.8(6) ?
C4 C3 C2 . . 116.8(7) ?
C4 C3 C6 . . 121.5(7) ?
C2 C3 C6 . . 121.7(7) ?
B6 B4 B3 2_565 . 60.6(5) ?
B6 B4 B2 2_565 2_565 61.1(5) ?
B3 B4 B2 . 2_565 109.1(6) ?
B6 B4 B5 2_565 . 107.8(6) ?
B3 B4 B5 . . 59.4(5) ?
B2 B4 B5 2_565 . 107.2(6) ?
B6 B4 B1 2_565 2_565 107.8(6) ?
B3 B4 B1 . 2_565 107.7(6) ?
B2 B4 B1 2_565 2_565 58.7(5) ?
B5 B4 B1 . 2_565 59.9(5) ?
B6 B4 Cl4 2_565 . 122.2(6) ?
B3 B4 Cl4 . . 122.3(6) ?
B2 B4 Cl4 2_565 . 121.2(6) ?
B5 B4 Cl4 . . 121.9(7) ?
B1 B4 Cl4 2_565 . 121.1(6) ?
C3 C4 C5 . . 121.2(7) ?
C3 C4 H4 . . 119.4 ?
C5 C4 H4 . . 119.4 ?
B3 B5 B2 . . 61.1(5) ?
B3 B5 B1 . 2_565 107.7(7) ?
B2 B5 B1 . 2_565 108.1(7) ?
B3 B5 B4 . . 59.3(5) ?
B2 B5 B4 . . 108.5(7) ?
B1 B5 B4 2_565 . 60.1(5) ?
B3 B5 B6 . . 109.2(7) ?
B2 B5 B6 . . 60.3(5) ?
B1 B5 B6 2_565 . 60.0(5) ?
B4 B5 B6 . . 108.5(7) ?
B3 B5 Cl5 . . 122.1(6) ?
B2 B5 Cl5 . . 122.4(6) ?
B1 B5 Cl5 2_565 . 120.7(6) ?
B4 B5 Cl5 . . 121.0(6) ?
B6 B5 Cl5 . . 121.1(6) ?
N1 C5 C4 . . 121.8(7) ?
N1 C5 H5 . . 119.1 ?
C4 C5 H5 . . 119.1 ?
B4 B6 B3 2_565 2_565 59.9(5) ?
B4 B6 B2 2_565 . 60.2(5) ?
B3 B6 B2 2_565 . 107.9(7) ?
B4 B6 B1 2_565 2_565 107.6(6) ?
B3 B6 B1 2_565 2_565 59.9(5) ?
B2 B6 B1 . 2_565 107.1(6) ?
B4 B6 B5 2_565 . 107.5(6) ?
B3 B6 B5 2_565 . 107.7(6) ?
B2 B6 B5 . . 59.2(5) ?
B1 B6 B5 2_565 . 59.8(5) ?
B4 B6 Cl6 2_565 . 122.2(6) ?
B3 B6 Cl6 2_565 . 121.8(6) ?
B2 B6 Cl6 . . 122.3(6) ?
B1 B6 Cl6 2_565 . 121.7(6) ?
B5 B6 Cl6 . . 121.8(7) ?
C11 C6 C7 . . 116.4(8) ?
C11 C6 C3 . . 121.7(7) ?
C7 C6 C3 . . 121.8(7) ?
C8 C7 C6 . . 122.7(7) ?
C8 C7 H7 . . 118.7 ?
C6 C7 H7 . . 118.7 ?
C7 C8 C9 . . 119.3(7) ?
C7 C8 H8 . . 120.3 ?
C9 C8 H8 . . 120.3 ?
C8 C9 C10 . . 119.6(8) ?
C8 C9 C12 . . 120.0(7) ?
C10 C9 C12 . . 120.3(7) ?
C9 C10 C11 . . 119.3(7) ?
C9 C10 H10 . . 120.3 ?
C11 C10 H10 . . 120.3 ?
C6 C11 C10 . . 122.6(7) ?
C6 C11 H11 . . 118.7 ?
C10 C11 H11 . . 118.7 ?
C13 C12 C16 . . 116.7(7) ?
C13 C12 C9 . . 120.7(7) ?
C16 C12 C9 . . 122.6(7) ?
C12 C13 C14 . . 119.9(7) ?
C12 C13 H13 . . 120.0 ?
C14 C13 H13 . . 120.0 ?
N2 C14 C13 . . 123.3(7) ?
N2 C14 H14 . . 118.3 ?
C13 C14 H14 . . 118.3 ?
N2 C15 C16 . . 123.9(7) ?
N2 C15 H15 . . 118.0 ?
C16 C15 H15 . . 118.0 ?
C15 C16 C12 . . 119.6(8) ?
C15 C16 H16 . . 120.2 ?
C12 C16 H16 . . 120.2 ?
N3 C17 C18 . . 124.5(8) ?
N3 C17 H17 . . 117.7 ?
C18 C17 H17 . . 117.7 ?
C19 C18 C17 . . 118.7(8) ?
C19 C18 H18 . . 120.7 ?
C17 C18 H18 . . 120.7 ?
C18 C19 C20 . . 115.8(8) ?
C18 C19 C22 . . 121.5(8) ?
C20 C19 C22 . . 122.6(9) ?
C21 C20 C19 . . 121.6(9) ?
C21 C20 H20 . . 119.2 ?
C19 C20 H20 . . 119.2 ?
N3 C21 C20 . . 123.1(9) ?
N3 C21 H21 . . 118.4 ?
C20 C21 H21 . . 118.4 ?
C24 C22 C23 . . 117.9(8) ?
C24 C22 C19 . . 121.1(7) ?
C23 C22 C19 . . 121.0(8) ?
C22 C23 C24 . 2_777 123.0(9) ?
C22 C23 H23 . . 118.5 ?
C24 C23 H23 2_777 . 118.5 ?
C22 C24 C23 . 2_777 119.1(8) ?
C22 C24 H24 . . 120.5 ?
C23 C24 H24 2_777 . 120.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Cu1 O3 . 1.957(5) ?
Cu1 N3 . 2.003(6) ?
Cu1 N1 . 2.008(6) ?
Cu1 N2 1_665 2.015(6) ?
Cu1 O3 2_676 2.366(5) ?
Cu1 O4 . 2.626(6) ?
Cl1 B1 . 1.821(9) ?
B1 B2 . 1.741(14) ?
B1 B3 . 1.767(14) ?
B1 B5 2_565 1.780(13) ?
B1 B4 2_565 1.782(12) ?
B1 B6 2_565 1.784(12) ?
C1 N1 . 1.348(9) ?
C1 C2 . 1.373(10) ?
C1 H1 . 0.93 ?
N1 C5 . 1.377(9) ?
Cl2 B3 . 1.801(9) ?
B2 B5 . 1.764(12) ?
B2 B4 2_565 1.768(14) ?
B2 B6 . 1.784(12) ?
B2 B3 . 1.787(12) ?
B2 Cl3 . 1.804(9) ?
C2 C3 . 1.413(9) ?
C2 H2 . 0.93 ?
N2 C15 . 1.350(9) ?
N2 C14 . 1.354(9) ?
B3 B4 . 1.748(12) ?
B3 B5 . 1.749(14) ?
B3 B6 2_565 1.758(14) ?
N3 C21 . 1.327(11) ?
N3 C17 . 1.341(9) ?
C3 C4 . 1.360(10) ?
C3 C6 . 1.458(10) ?
Cl4 B4 . 1.802(8) ?
B4 B6 2_565 1.739(13) ?
B4 B5 . 1.781(13) ?
C4 C5 . 1.388(10) ?
C4 H4 . 0.93 ?
B5 B6 . 1.787(13) ?
B5 Cl5 . 1.811(11) ?
C5 H5 . 0.93 ?
B6 Cl6 . 1.796(9) ?
C6 C11 . 1.363(10) ?
C6 C7 . 1.428(10) ?
C7 C8 . 1.385(10) ?
C7 H7 . 0.93 ?
C8 C9 . 1.392(10) ?
C8 H8 . 0.93 ?
C9 C10 . 1.399(10) ?
C9 C12 . 1.462(10) ?
C10 C11 . 1.417(11) ?
C10 H10 . 0.93 ?
C11 H11 . 0.93 ?
C12 C13 . 1.395(10) ?
C12 C16 . 1.416(10) ?
C13 C14 . 1.396(10) ?
C13 H13 . 0.93 ?
C14 H14 . 0.93 ?
C15 C16 . 1.383(11) ?
C15 H15 . 0.93 ?
C16 H16 . 0.93 ?
C17 C18 . 1.390(10) ?
C17 H17 . 0.93 ?
C18 C19 . 1.389(12) ?
C18 H18 . 0.93 ?
C19 C20 . 1.395(12) ?
C19 C22 . 1.484(10) ?
C20 C21 . 1.361(11) ?
C20 H20 . 0.93 ?
C21 H21 . 0.93 ?
C22 C24 . 1.332(11) ?
C22 C23 . 1.377(11) ?
C23 C24 2_777 1.387(11) ?
C23 H23 . 0.93 ?
C24 H24 . 0.93 ?
