#------------------------------------------------------------------------------
#$Date: 2016-03-24 14:16:31 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179658 $
#$URL: svn://www.crystallography.net/cod/cif/4/51/11/4511160.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_4511160
loop_
_publ_author_name
'Rajput, Lalit'
'Biradha, Kumar'
_publ_section_title
;
 Reliable Formation of an Unusual and Chiral Two-Dimensional Network
 Containing Entanglement of the Ligand in the Presence of Different Anions
;
_journal_issue                   9
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              3848
_journal_paper_doi               10.1021/cg900570m
_journal_volume                  9
_journal_year                    2009
_chemical_formula_sum            'C40 H66 Cu F6 N8 O11 Si'
_chemical_formula_weight         1040.64
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.5315(16)
_cell_length_b                   14.5565(17)
_cell_length_c                   23.839(3)
_cell_measurement_reflns_used    9340
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.50
_cell_measurement_theta_min      1.64
_cell_volume                     5042.6(10)
_computing_cell_refinement       'Bruker APEX-2'
_computing_data_collection       'Bruker APEX-2'
_computing_data_reduction        'Bruker APEX-2'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker CCD APEX-2'
_diffrn_measurement_method       hemisphere
_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  0.1334
_diffrn_reflns_av_sigmaI/netI    0.1034
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            62360
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.64
_exptl_absorpt_coefficient_mu    0.541
_exptl_absorpt_correction_T_max  0.922
_exptl_absorpt_correction_T_min  0.890
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            Blue
_exptl_crystal_density_diffrn    1.371
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       blocks
_exptl_crystal_F_000             2188
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.568
_refine_diff_density_min         -0.293
_refine_diff_density_rms         0.069
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.05(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.923
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     550
_refine_ls_number_reflns         9340
_refine_ls_number_restraints     27
_refine_ls_restrained_S_all      0.924
_refine_ls_R_factor_all          0.1312
_refine_ls_R_factor_gt           0.0763
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1045P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1635
_refine_ls_wR_factor_ref         0.1918
_reflns_number_gt                5263
_reflns_number_total             9340
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg900570m_si_003.cif
_cod_data_source_block           4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/usr/data/users/saulius/automatic-downloads/retrospective/ACS/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 2281 2013-09-26 08:29:07Z andrius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' 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        5042.7(10)
_cod_original_sg_symbol_H-M      P2(1)2(1)2(1)
_cod_database_code               4511160
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -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
Cu1 Cu 0.28079(5) 0.00991(5) 0.84769(3) 0.0478(2) Uani 1 1 d .
Si1 Si -0.21710(13) -0.01679(12) 1.00263(7) 0.0473(4) Uani 1 1 d .
F1 F -0.1330(4) -0.0915(4) 1.0051(2) 0.112(2) Uani 1 1 d .
F2 F -0.1436(5) 0.0674(5) 1.0006(3) 0.145(3) Uani 1 1 d .
F3 F -0.2922(4) -0.1016(4) 1.0051(3) 0.132(2) Uani 1 1 d .
F4 F -0.3009(4) 0.0587(4) 1.00071(18) 0.1022(19) Uani 1 1 d .
F5 F -0.2175(3) -0.0212(3) 0.93192(14) 0.0776(13) Uani 1 1 d .
F6 F -0.2179(3) -0.0099(3) 1.07340(15) 0.0790(12) Uani 1 1 d .
N11B N 0.4121(3) 0.0503(3) 0.8594(2) 0.0394(12) Uani 1 1 d .
N12B N 0.6859(4) 0.1298(4) 0.8789(2) 0.0644(17) Uani 1 1 d .
H12C H 0.7171 0.0921 0.8991 0.077 Uiso 1 1 calc R
C11B C 0.4456(5) 0.1246(4) 0.8324(2) 0.0472(17) Uani 1 1 d .
H11B H 0.4064 0.1564 0.8085 0.057 Uiso 1 1 calc R
C12B C 0.5342(5) 0.1560(5) 0.8382(3) 0.0502(17) Uani 1 1 d .
H12D H 0.5531 0.2091 0.8198 0.060 Uiso 1 1 calc R
C13B C 0.5952(5) 0.1074(5) 0.8720(3) 0.0463(17) Uani 1 1 d .
C14B C 0.5589(5) 0.0308(5) 0.8996(3) 0.0571(19) Uani 1 1 d .
H14B H 0.5965 -0.0035 0.9233 0.068 Uiso 1 1 calc R
C15B C 0.4712(4) 0.0059(5) 0.8925(3) 0.0460(15) Uani 1 1 d .
H15B H 0.4501 -0.0454 0.9118 0.055 Uiso 1 1 calc R
N21B N 0.7663(4) -0.3603(3) 0.6433(2) 0.0488(13) Uani 1 1 d .
N22B N 0.8732(4) -0.0979(4) 0.6183(2) 0.0618(17) Uani 1 1 d .
H22C H 0.8393 -0.0632 0.5976 0.074 Uiso 1 1 calc R
C21B C 0.8300(5) -0.3270(5) 0.6781(3) 0.0478(17) Uani 1 1 d .
H21B H 0.8487 -0.3625 0.7085 0.057 Uiso 1 1 calc R
C22B C 0.8688(5) -0.2420(5) 0.6704(3) 0.0488(18) Uani 1 1 d .
H22D H 0.9146 -0.2220 0.6948 0.059 Uiso 1 1 calc R
C23B C 0.8408(5) -0.1859(4) 0.6273(3) 0.0442(16) Uani 1 1 d .
C24B C 0.7723(5) -0.2197(4) 0.5921(3) 0.0523(17) Uani 1 1 d .
H24B H 0.7498 -0.1836 0.5629 0.063 Uiso 1 1 calc R
C25B C 0.7379(5) -0.3074(5) 0.6005(3) 0.057(2) Uani 1 1 d .
H25B H 0.6938 -0.3302 0.5759 0.068 Uiso 1 1 calc R
O31B O 0.6988(4) 0.2636(4) 0.8331(3) 0.093(2) Uani 1 1 d .
O38B O 1.0086(4) -0.1008(4) 0.6649(3) 0.0850(18) Uani 1 1 d .
C31B C 0.7339(6) 0.2020(6) 0.8590(3) 0.071(2) Uani 1 1 d .
C38B C 0.9520(7) -0.0592(6) 0.6382(3) 0.067(2) Uani 1 1 d .
C32B C 0.8358(6) 0.1957(6) 0.8664(4) 0.078(3) Uani 1 1 d .
H32C H 0.8488 0.1773 0.9046 0.093 Uiso 1 1 calc .
H32D H 0.8623 0.2562 0.8608 0.093 Uiso 1 1 calc .
C33B C 0.8820(6) 0.1290(6) 0.8269(4) 0.082(3) Uani 1 1 d .
H33C H 0.9479 0.1309 0.8333 0.099 Uiso 1 1 calc .
H33D H 0.8611 0.0673 0.8356 0.099 Uiso 1 1 calc .
C34B C 0.8637(7) 0.1481(6) 0.7661(5) 0.093(3) Uani 1 1 d .
H34C H 0.8792 0.2115 0.7579 0.111 Uiso 1 1 calc .
H34D H 0.7986 0.1399 0.7586 0.111 Uiso 1 1 calc .
C35B C 0.9188(7) 0.0855(7) 0.7278(5) 0.100(3) Uani 1 1 d .
H35C H 0.9839 0.0964 0.7341 0.120 Uiso 1 1 calc .
H35D H 0.9061 0.0221 0.7378 0.120 Uiso 1 1 calc .
C36B C 0.8981(9) 0.0988(6) 0.6660(5) 0.104(4) Uani 1 1 d .
H36C H 0.9055 0.1633 0.6569 0.125 Uiso 1 1 calc .
H36D H 0.8342 0.0829 0.6593 0.125 Uiso 1 1 calc .
C37B C 0.9583(7) 0.0423(7) 0.6260(4) 0.092(3) Uani 1 1 d .
H37C H 0.9390 0.0536 0.5877 0.110 Uiso 1 1 calc .
H37D H 1.0218 0.0619 0.6297 0.110 Uiso 1 1 calc .
C31A C 0.4761(5) -0.4404(5) 0.8291(3) 0.0510(17) Uani 1 1 d U
C32A C 0.4764(6) -0.5435(5) 0.8391(4) 0.080(2) Uani 1 1 d U
H32A H 0.5334 -0.5681 0.8243 0.096 Uiso 1 1 calc .
H32B H 0.4766 -0.5539 0.8793 0.096 Uiso 1 1 calc .
C33A C 0.4001(10) -0.5961(6) 0.8149(5) 0.129(4) Uani 1 1 d DU
H33A H 0.3442 -0.5813 0.8352 0.155 Uiso 1 1 calc .
H33B H 0.4122 -0.6610 0.8203 0.155 Uiso 1 1 calc .
C34A C 0.3844(9) -0.5794(10) 0.7553(5) 0.152(4) Uani 1 1 d DU
H34A H 0.4422 -0.5837 0.7351 0.182 Uiso 1 1 calc .
H34B H 0.3598 -0.5181 0.7500 0.182 Uiso 1 1 calc .
C35A C 0.3163(10) -0.6506(9) 0.7325(5) 0.139(3) Uani 1 1 d DU
H35A H 0.3287 -0.7085 0.7512 0.167 Uiso 1 1 calc .
H35B H 0.2549 -0.6316 0.7435 0.167 Uiso 1 1 calc .
C36A C 0.3155(10) -0.6674(9) 0.6727(5) 0.138(3) Uani 1 1 d DU
H36A H 0.3777 -0.6846 0.6621 0.166 Uiso 1 1 calc .
H36B H 0.3029 -0.6090 0.6546 0.166 Uiso 1 1 calc .
C37A C 0.2521(7) -0.7370(6) 0.6466(4) 0.100(2) Uani 1 1 d U
H37A H 0.2697 -0.7978 0.6594 0.120 Uiso 1 1 calc .
H37B H 0.2599 -0.7354 0.6062 0.120 Uiso 1 1 calc .
C38A C 0.1511(7) -0.7214(6) 0.6602(4) 0.085(2) Uani 1 1 d U
N11A N 0.3195(4) -0.1226(3) 0.8468(2) 0.0480(13) Uani 1 1 d .
N12A N 0.4060(4) -0.3956(4) 0.8565(2) 0.0572(15) Uani 1 1 d .
H12A H 0.3747 -0.4283 0.8797 0.069 Uiso 1 1 calc R
C11A C 0.3790(5) -0.1564(5) 0.8108(3) 0.0508(18) Uani 1 1 d .
H11A H 0.4001 -0.1172 0.7829 0.061 Uiso 1 1 calc R
C12A C 0.4125(5) -0.2439(4) 0.8109(3) 0.0526(18) Uani 1 1 d .
H12B H 0.4561 -0.2626 0.7847 0.063 Uiso 1 1 calc R
C13A C 0.3793(4) -0.3045(4) 0.8515(3) 0.0422(15) Uani 1 1 d .
C14A C 0.3160(5) -0.2702(5) 0.8885(3) 0.059(2) Uani 1 1 d .
H14A H 0.2917 -0.3086 0.9159 0.071 Uiso 1 1 calc R
C15A C 0.2881(5) -0.1819(4) 0.8860(3) 0.0565(19) Uani 1 1 d .
H15A H 0.2456 -0.1610 0.9122 0.068 Uiso 1 1 calc R
N21A N -0.1488(4) -0.5345(3) 0.6512(2) 0.0471(13) Uani 1 1 d .
N22A N 0.1131(4) -0.6472(4) 0.6339(2) 0.0585(16) Uani 1 1 d .
H22A H 0.1471 -0.6203 0.6094 0.070 Uiso 1 1 calc R
C21A C -0.0941(5) -0.5145(5) 0.6084(3) 0.0551(18) Uani 1 1 d .
H21A H -0.1162 -0.4752 0.5808 0.066 Uiso 1 1 calc R
C22A C -0.0080(5) -0.5482(5) 0.6026(3) 0.0520(18) Uani 1 1 d .
H22B H 0.0285 -0.5303 0.5724 0.062 Uiso 1 1 calc R
C23A C 0.0256(4) -0.6097(4) 0.6422(3) 0.0450(16) Uani 1 1 d .
C24A C -0.0304(5) -0.6324(4) 0.6866(3) 0.0480(17) Uani 1 1 d .
H24A H -0.0104 -0.6736 0.7138 0.058 Uiso 1 1 calc R
C25A C -0.1170(4) -0.5932(4) 0.6901(3) 0.0431(16) Uani 1 1 d .
H25A H -0.1544 -0.6080 0.7204 0.052 Uiso 1 1 calc R
O38A O 0.1104(4) -0.7685(4) 0.6936(2) 0.0779(17) Uani 1 1 d .
O31A O 0.5300(4) -0.4026(4) 0.7988(2) 0.0703(15) Uani 1 1 d .
O1W O 0.3015(3) 0.0290(3) 0.75037(17) 0.0579(12) Uani 1 1 d .
O2W O -0.2157(6) -0.4914(7) 1.0310(3) 0.170(3) Uani 1 1 d .
O3W O -0.2036(5) -0.5696(5) 0.8275(3) 0.134(3) Uani 1 1 d .
O4W O 0.0421(10) 0.137(2) 1.0202(7) 0.410(17) Uani 1 1 d .
O5W O 0.9946(17) 0.263(3) 0.9907(6) 0.447(19) 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'
Si Si 0.0817 0.0704 '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'
F F 0.0171 0.0103 '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'
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
N11B Cu1 N21B 91.9(2) . 3_656
N11B Cu1 N11A 90.9(2) . .
N21B Cu1 N11A 173.4(2) 3_656 .
N11B Cu1 N21A 171.1(2) . 3_556
N21B Cu1 N21A 88.6(2) 3_656 3_556
N11A Cu1 N21A 87.6(2) . 3_556
N11B Cu1 O1W 88.94(17) . .
N21B Cu1 O1W 92.16(19) 3_656 .
N11A Cu1 O1W 93.8(2) . .
N21A Cu1 O1W 99.9(2) 3_556 .
F2 Si1 F1 90.7(4) . .
F2 Si1 F3 179.5(4) . .
F1 Si1 F3 89.7(3) . .
F2 Si1 F4 89.0(4) . .
F1 Si1 F4 179.4(3) . .
F3 Si1 F4 90.6(3) . .
F2 Si1 F5 90.1(3) . .
F1 Si1 F5 90.7(2) . .
F3 Si1 F5 90.3(3) . .
F4 Si1 F5 89.7(2) . .
F2 Si1 F6 89.4(3) . .
F1 Si1 F6 90.5(2) . .
F3 Si1 F6 90.2(3) . .
F4 Si1 F6 89.0(2) . .
F5 Si1 F6 178.6(2) . .
C15B N11B C11B 116.0(5) . .
C15B N11B Cu1 123.4(4) . .
C11B N11B Cu1 120.6(4) . .
C31B N12B C13B 130.0(7) . .
N11B C11B C12B 123.9(6) . .
C11B C12B C13B 119.1(6) . .
N12B C13B C14B 119.9(6) . .
N12B C13B C12B 124.2(6) . .
C14B C13B C12B 115.9(6) . .
C15B C14B C13B 121.2(6) . .
C14B C15B N11B 124.0(6) . .
C21B N21B C25B 118.5(6) . .
C21B N21B Cu1 120.6(4) . 3_646
C25B N21B Cu1 120.8(4) . 3_646
C38B N22B C23B 128.0(6) . .
N21B C21B C22B 122.0(6) . .
C23B C22B C21B 120.9(6) . .
C22B C23B C24B 117.0(6) . .
C22B C23B N22B 124.4(6) . .
C24B C23B N22B 118.5(6) . .
C25B C24B C23B 119.7(6) . .
C24B C25B N21B 121.8(6) . .
O31B C31B N12B 122.8(8) . .
O31B C31B C32B 121.8(9) . .
N12B C31B C32B 115.1(8) . .
O38B C38B N22B 123.4(7) . .
O38B C38B C37B 123.6(9) . .
N22B C38B C37B 112.9(8) . .
C31B C32B C33B 114.0(7) . .
C34B C33B C32B 113.8(8) . .
C33B C34B C35B 112.1(9) . .
C36B C35B C34B 113.8(9) . .
C35B C36B C37B 114.9(9) . .
C38B C37B C36B 111.8(7) . .
O31A C31A N12A 123.6(6) . .
O31A C31A C32A 123.0(7) . .
N12A C31A C32A 113.3(7) . .
C33A C32A C31A 116.9(8) . .
C32A C33A C34A 114.5(11) . .
C33A C34A C35A 109.5(11) . .
C36A C35A C34A 118.0(12) . .
C35A C36A C37A 121.8(12) . .
C36A C37A C38A 113.7(8) . .
O38A C38A N22A 123.7(8) . .
O38A C38A C37A 122.0(8) . .
N22A C38A C37A 114.2(9) . .
C11A N11A C15A 115.7(5) . .
C11A N11A Cu1 123.4(4) . .
C15A N11A Cu1 120.8(4) . .
C31A N12A C13A 128.4(6) . .
N11A C11A C12A 125.8(6) . .
C11A C12A C13A 117.8(6) . .
C14A C13A N12A 118.9(6) . .
C14A C13A C12A 116.7(6) . .
N12A C13A C12A 124.5(6) . .
C15A C14A C13A 121.4(6) . .
N11A C15A C14A 122.5(6) . .
C21A N21A C25A 117.6(5) . .
C21A N21A Cu1 120.6(4) . 3_546
C25A N21A Cu1 121.4(4) . 3_546
C38A N22A C23A 127.8(7) . .
N21A C21A C22A 123.7(6) . .
C21A C22A C23A 119.3(6) . .
C24A C23A C22A 118.0(6) . .
C24A C23A N22A 123.5(6) . .
C22A C23A N22A 118.4(6) . .
C23A C24A C25A 119.0(6) . .
N21A C25A C24A 122.3(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N11B 2.017(5) .
Cu1 N21B 2.021(5) 3_656
Cu1 N11A 2.009(5) .
Cu1 N21A 2.023(5) 3_556
Cu1 O1W 2.356(4) .
Si1 F2 1.626(6) .
Si1 F1 1.637(5) .
Si1 F3 1.649(5) .
Si1 F4 1.640(5) .
Si1 F5 1.687(4) .
Si1 F6 1.690(4) .
N11B C15B 1.333(7) .
N11B C11B 1.349(8) .
N12B C31B 1.348(10) .
N12B C13B 1.367(8) .
C11B C12B 1.372(9) .
C12B C13B 1.392(9) .
C13B C14B 1.397(9) .
C14B C15B 1.335(9) .
N21B C21B 1.334(8) .
N21B C25B 1.344(8) .
N21B Cu1 2.021(5) 3_646
N22B C38B 1.362(10) .
N22B C23B 1.382(8) .
C21B C22B 1.372(9) .
C22B C23B 1.375(9) .
C23B C24B 1.391(9) .
C24B C25B 1.386(9) .
O31B C31B 1.202(9) .
O38B C38B 1.204(9) .
C31B C32B 1.493(11) .
C38B C37B 1.508(11) .
C32B C33B 1.510(13) .
C33B C34B 1.499(12) .
C34B C35B 1.518(14) .
C35B C36B 1.517(14) .
C36B C37B 1.532(14) .
C31A O31A 1.198(8) .
C31A N12A 1.374(8) .
C31A C32A 1.520(10) .
C32A C33A 1.466(15) .
C33A C34A 1.458(9) .
C34A C35A 1.532(17) .
C35A C36A 1.449(9) .
C36A C37A 1.505(15) .
C37A C38A 1.521(13) .
C38A O38A 1.205(10) .
C38A N22A 1.365(9) .
N11A C11A 1.314(8) .
N11A C15A 1.351(8) .
N12A C13A 1.387(7) .
C11A C12A 1.364(9) .
C12A C13A 1.396(8) .
C13A C14A 1.369(9) .
C14A C15A 1.349(9) .
N21A C21A 1.326(8) .
N21A C25A 1.344(8) .
N21A Cu1 2.023(5) 3_546
N22A C23A 1.398(8) .
C21A C22A 1.351(9) .
C22A C23A 1.389(9) .
C23A C24A 1.376(8) .
C24A C25A 1.384(9) .
