#------------------------------------------------------------------------------
#$Date: 2016-03-24 03:22:12 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179627 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/91/4509116.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_4509116
loop_
_publ_author_name
'Ding, Bin'
'Liu, Yuan-Yuan'
'Huang, Yong-Quan'
'Shi, Wei'
'Cheng, Peng'
'Liao, Dai-Zheng'
'Yan, Shi-Ping'
_publ_section_title
;
 Structural Variations Influenced by Ligand Conformation and Counteranions
 in Copper(II) Complexes with Flexible Bis-Triazole Ligand
;
_journal_issue                   1
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              593
_journal_paper_doi               10.1021/cg8008943
_journal_volume                  9
_journal_year                    2009
_chemical_formula_moiety         'C24 H24 B2 Cu F8 N12'
_chemical_formula_sum            'C24 H24 B2 Cu F8 N12'
_chemical_formula_weight         717.71
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 124.507(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   24.199(4)
_cell_length_b                   9.6398(16)
_cell_length_c                   15.528(3)
_cell_measurement_reflns_used    1508
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      22.51
_cell_measurement_theta_min      2.35
_cell_volume                     2985.0(9)
_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      294(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.0540
_diffrn_reflns_av_sigmaI/netI    0.0679
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            8255
_diffrn_reflns_theta_full        26.38
_diffrn_reflns_theta_max         26.38
_diffrn_reflns_theta_min         2.04
_exptl_absorpt_coefficient_mu    0.822
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.748788
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.597
_exptl_crystal_density_meas      1.597
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1452
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.543
_refine_diff_density_min         -0.540
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     268
_refine_ls_number_reflns         3047
_refine_ls_number_restraints     220
_refine_ls_restrained_S_all      1.079
_refine_ls_R_factor_all          0.1130
_refine_ls_R_factor_gt           0.0574
_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)+(0.0601P)²+10.4435P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1317
_refine_ls_wR_factor_ref         0.1631
_reflns_number_gt                1765
_reflns_number_total             3047
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg8008943sup1.cif
_cod_data_source_block           4
_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 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN'
changed to 'multi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4509116
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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 0.2500 0.7500 0.5000 0.0418(3) Uani 1 2 d S . .
N1 N 0.2807(6) 0.5654(15) 0.5023(8) 0.0364(16) Uani 0.50 1 d PGDU . .
C1 C 0.2988(5) 0.5049(11) 0.4394(8) 0.041(2) Uani 0.50 1 d PGDU . .
H1A H 0.2934 0.5462 0.3788 0.049 Uiso 0.50 1 d PR . .
N3 N 0.3260(5) 0.3736(9) 0.4806(9) 0.045(2) Uani 0.50 1 d PGDU . .
N2 N 0.3248(4) 0.3529(9) 0.5689(10) 0.0392(16) Uani 0.50 1 d PGDU . .
C2 C 0.2968(6) 0.4714(14) 0.5824(10) 0.037(4) Uani 0.50 1 d PGDU . .
H2A H 0.2899 0.4857 0.6368 0.044 Uiso 0.50 1 d PR . .
C3 C 0.3539(4) 0.2184(9) 0.6140(6) 0.0425(16) Uani 0.50 1 d PDU . .
H3A H 0.3397 0.1518 0.5593 0.051 Uiso 0.50 1 d PR . .
H3B H 0.3389 0.1876 0.6562 0.051 Uiso 0.50 1 d PR . .
C4 C 0.4310(3) 0.2296(6) 0.6816(5) 0.0375(14) Uani 0.50 1 d PGDU . .
C5 C 0.4672(3) 0.1174(5) 0.6820(5) 0.063(3) Uani 0.50 1 d PGDU . .
H5A H 0.4442 0.0365 0.6410 0.075 Uiso 0.50 1 d PR . .
C6 C 0.5369(3) 0.1222(5) 0.7417(5) 0.059(3) Uani 0.50 1 d PGDU . .
H6A H 0.5619 0.0447 0.7420 0.071 Uiso 0.50 1 d PR . .
C7 C 0.5703(3) 0.2392(6) 0.8011(5) 0.0375(14) Uani 0.50 1 d PGDU . .
C8 C 0.5341(4) 0.3514(5) 0.8007(6) 0.051(3) Uani 0.50 1 d PGDU . .
H8A H 0.5572 0.4323 0.8417 0.061 Uiso 0.50 1 d PR . .
C9 C 0.4645(4) 0.3466(5) 0.7409(6) 0.053(4) Uani 0.50 1 d PGDU . .
H9A H 0.4394 0.4241 0.7407 0.063 Uiso 0.50 1 d PR . .
C10 C 0.6473(4) 0.2384(10) 0.8653(6) 0.0425(16) Uani 0.50 1 d PDU . .
H10A H 0.6613 0.2528 0.8192 0.051 Uiso 0.50 1 d PR . .
H10B H 0.6633 0.1490 0.8973 0.051 Uiso 0.50 1 d PR . .
N5 N 0.6775(3) 0.3446(9) 0.9464(10) 0.0392(16) Uani 0.50 1 d PGDU . .
N6 N 0.6926(5) 0.3643(9) 1.0385(9) 0.045(2) Uani 0.50 1 d PGDU . .
C11 C 0.7188(5) 0.4843(11) 1.0681(8) 0.041(2) Uani 0.50 1 d PGDU . .
H11A H 0.7349 0.5263 1.1344 0.049 Uiso 0.50 1 d PR . .
N4 N 0.7199(6) 0.5389(15) 0.9944(9) 0.0364(16) Uani 0.50 1 d PGDU . .
C12 C 0.6943(6) 0.4525(14) 0.9191(10) 0.039(4) Uani 0.50 1 d PGDU . .
H12A H 0.6888 0.4664 0.8534 0.047 Uiso 0.50 1 d PR . .
N7 N 0.3335(2) 0.7776(4) 0.6440(3) 0.0429(10) Uani 1 1 d . . .
N8 N 0.4432(2) 0.7713(5) 0.7713(3) 0.0533(12) Uani 1 1 d . . .
N9 N 0.4060(2) 0.7801(4) 0.8117(3) 0.0413(10) Uani 1 1 d . . .
C13 C 0.3978(3) 0.7708(5) 0.6706(4) 0.0485(13) Uani 1 1 d . . .
H13 H 0.4082 0.7662 0.6215 0.058 Uiso 1 1 calc R . .
C14 C 0.3418(3) 0.7830(5) 0.7360(4) 0.0443(12) Uani 1 1 d . . .
H14 H 0.3072 0.7882 0.7456 0.053 Uiso 1 1 calc R . .
C15 C 0.4387(3) 0.7705(5) 0.9240(4) 0.0501(13) Uani 1 1 d . . .
H15A H 0.4059 0.7857 0.9403 0.060 Uiso 1 1 calc R . .
H15B H 0.4727 0.8420 0.9586 0.060 Uiso 1 1 calc R . .
C16 C 0.4706(3) 0.6302(5) 0.9636(4) 0.0410(12) Uani 1 1 d . . .
C17 C 0.4334(3) 0.5105(6) 0.9215(4) 0.0558(14) Uani 1 1 d . . .
H17 H 0.3880 0.5166 0.8682 0.067 Uiso 1 1 calc R . .
C18 C 0.5374(3) 0.6185(6) 1.0424(4) 0.0528(14) Uani 1 1 d . . .
H18 H 0.5633 0.6980 1.0717 0.063 Uiso 1 1 calc R . .
B1 B 0.1824(3) 0.6090(6) 0.6401(5) 0.0621(18) Uani 1 1 d D . .
F1 F 0.1835(5) 0.6636(10) 0.5620(6) 0.080(3) Uani 0.671(8) 1 d PDU A 1
F2 F 0.2267(5) 0.5027(9) 0.6893(9) 0.096(3) Uani 0.671(8) 1 d PDU A 1
F3 F 0.1201(3) 0.5648(7) 0.6060(8) 0.104(3) Uani 0.671(8) 1 d PDU A 1
F4 F 0.1931(3) 0.7241(7) 0.7060(5) 0.100(3) Uani 0.671(8) 1 d PDU A 1
F1' F 0.1961(10) 0.7104(15) 0.5946(12) 0.070(5) Uani 0.329(8) 1 d PDU A 2
F2' F 0.2449(6) 0.5502(16) 0.7115(12) 0.055(4) Uani 0.329(8) 1 d PDU A 2
F3' F 0.1466(10) 0.5200(17) 0.5520(11) 0.144(6) Uani 0.329(8) 1 d PDU A 2
F4' F 0.1431(8) 0.6091(19) 0.6723(13) 0.094(4) Uani 0.329(8) 1 d PDU A 2
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'
N N 0.0061 0.0033 '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
N1 Cu1 N1 180.0 7_566 .
N1 Cu1 N7 91.9(3) 7_566 .
N1 Cu1 N7 88.1(3) . .
N1 Cu1 N7 88.1(3) 7_566 7_566
N1 Cu1 N7 91.9(3) . 7_566
N7 Cu1 N7 179.999(1) . 7_566
N1 Cu1 N4 176.2(17) 7_566 2_656
N1 Cu1 N4 3.8(17) . 2_656
N7 Cu1 N4 88.6(17) . 2_656
N7 Cu1 N4 91.4(17) 7_566 2_656
N1 Cu1 N4 4(3) 7_566 8_465
N1 Cu1 N4 176(3) . 8_465
N7 Cu1 N4 91(2) . 8_465
N7 Cu1 N4 89(2) 7_566 8_465
N4 Cu1 N4 180.0(11) 2_656 8_465
N4 N1 C11 68(10) 2_656 2_656
N4 N1 C2 39(10) 2_656 .
C11 N1 C2 102.6(16) 2_656 .
N4 N1 C1 79(10) 2_656 .
C11 N1 C1 17(2) 2_656 .
C2 N1 C1 108.0 . .
N4 N1 C12 34(10) 2_656 2_656
C11 N1 C12 93(3) 2_656 2_656
C2 N1 C12 11(3) . 2_656
C1 N1 C12 97(3) . 2_656
N4 N1 Cu1 147(10) 2_656 .
C11 N1 Cu1 135(2) 2_656 .
C2 N1 Cu1 121.7(6) . .
C1 N1 Cu1 129.9(6) . .
C12 N1 Cu1 132(3) 2_656 .
C11 C1 N4 67(9) 2_656 2_656
C11 C1 N6 66(6) 2_656 2_656
N4 C1 N6 97(3) 2_656 2_656
C11 C1 N3 81(7) 2_656 .
N4 C1 N3 98.2(17) 2_656 .
N6 C1 N3 16(2) 2_656 .
C11 C1 N1 74(10) 2_656 .
N4 C1 N1 10.8(17) 2_656 .
N6 C1 N1 107(3) 2_656 .
N3 C1 N1 108.0 . .
C11 C1 H1A 111.6 2_656 .
N4 C1 H1A 135.6 2_656 .
N6 C1 H1A 124.5 2_656 .
N3 C1 H1A 126.0 . .
N1 C1 H1A 126.0 . .
N6 N3 N5 89(9) 2_656 2_656
N6 N3 C11 63(8) 2_656 2_656
N5 N3 C11 104(3) 2_656 2_656
N6 N3 N2 93(9) 2_656 .
N5 N3 N2 5.6(8) 2_656 .
C11 N3 N2 101(3) 2_656 .
N6 N3 C1 79(7) 2_656 .
N5 N3 C1 111.6(9) 2_656 .
C11 N3 C1 17(2) 2_656 .
N2 N3 C1 108.0 . .
N5 N2 C12 126(6) 2_656 2_656
N5 N2 C10 103(4) 2_656 2_656
C12 N2 C10 129(3) 2_656 2_656
N5 N2 N3 32(4) 2_656 .
C12 N2 N3 106(3) 2_656 .
C10 N2 N3 124.1(10) 2_656 .
N5 N2 C2 126(4) 2_656 .
C12 N2 C2 4(3) 2_656 .
C10 N2 C2 127.6(10) 2_656 .
N3 N2 C2 108.0 . .
N5 N2 C3 87(4) 2_656 .
C12 N2 C3 145(3) 2_656 .
C10 N2 C3 15.6(5) 2_656 .
N3 N2 C3 109.0(9) . .
C2 N2 C3 143.0(9) . .
N5 N2 N6 25(4) 2_656 2_656
C12 N2 N6 104(3) 2_656 2_656
C10 N2 N6 127(3) 2_656 2_656
N3 N2 N6 15(2) . 2_656
C2 N2 N6 105(2) . 2_656
C3 N2 N6 111(3) . 2_656
C12 C2 N4 96(10) 2_656 2_656
C12 C2 N1 100(9) 2_656 .
N4 C2 N1 8(3) 2_656 .
C12 C2 N2 17(9) 2_656 .
N4 C2 N2 102(3) 2_656 .
N1 C2 N2 108.0 . .
C12 C2 N5 18(10) 2_656 2_656
N4 C2 N5 96(4) 2_656 2_656
N1 C2 N5 102.1(9) . 2_656
N2 C2 N5 6.8(8) . 2_656
C12 C2 H2A 131.5 2_656 .
N4 C2 H2A 131.6 2_656 .
N1 C2 H2A 126.0 . .
N2 C2 H2A 126.0 . .
N5 C2 H2A 131.8 2_656 .
C10 C3 N2 73(2) 2_656 .
C10 C3 N5 82(2) 2_656 2_656
N2 C3 N5 8.9(11) . 2_656
C10 C3 C4 92(2) 2_656 .
N2 C3 C4 109.6(4) . .
N5 C3 C4 111.7(6) 2_656 .
C10 C3 C7 81(2) 2_656 2_656
N2 C3 C7 108.2(4) . 2_656
N5 C3 C7 112.0(6) 2_656 2_656
C4 C3 C7 11.3(4) . 2_656
C10 C3 H3A 154.5 2_656 .
N2 C3 H3A 109.8 . .
N5 C3 H3A 101.2 2_656 .
C4 C3 H3A 109.8 . .
C7 C3 H3A 119.9 2_656 .
C10 C3 H3B 49.7 2_656 .
N2 C3 H3B 109.7 . .
N5 C3 H3B 115.8 2_656 .
C4 C3 H3B 109.8 . .
C7 C3 H3B 100.5 2_656 .
H3A C3 H3B 108.2 . .
C7 C4 C8 85.6(13) 2_656 2_656
C7 C4 C5 128.3(17) 2_656 .
C8 C4 C5 110.4(6) 2_656 .
C7 C4 C9 58.5(16) 2_656 .
C8 C4 C9 27.9(6) 2_656 .
C5 C4 C9 120.0 . .
C7 C4 C6 76.4(16) 2_656 2_656
C8 C4 C6 117.9(9) 2_656 2_656
C5 C4 C6 52.4(5) . 2_656
C9 C4 C6 101.4(4) . 2_656
C7 C4 C3 86(3) 2_656 .
C8 C4 C3 124.2(6) 2_656 .
C5 C4 C3 117.8(3) . .
C9 C4 C3 122.2(3) . .
C6 C4 C3 113.2(5) 2_656 .
C7 C4 C10 72(2) 2_656 2_656
C8 C4 C10 118.5(6) 2_656 2_656
C5 C4 C10 128.6(6) . 2_656
C9 C4 C10 110.6(6) . 2_656
C6 C4 C10 111.2(7) 2_656 2_656
C3 C4 C10 14.1(5) . 2_656
C6 C5 C4 65.5(4) 2_656 .
C6 C5 C6 94.8(7) 2_656 .
C4 C5 C6 120.0 . .
C6 C5 C7 57.0(4) 2_656 2_656
C4 C5 C7 8.6(4) . 2_656
C6 C5 C7 117.0(4) . 2_656
C6 C5 C5 50.9(5) 2_656 2_656
C4 C5 C5 98.1(3) . 2_656
C6 C5 C5 44.0(5) . 2_656
C7 C5 C5 90.7(5) 2_656 2_656
C6 C5 H5A 109.3 2_656 .
C4 C5 H5A 120.0 . .
C6 C5 H5A 120.0 . .
C7 C5 H5A 122.3 2_656 .
C5 C5 H5A 125.3 2_656 .
C5 C6 C7 74.3(3) 2_656 .
C5 C6 C5 85.0(7) 2_656 .
C7 C6 C5 120.0 . .
C5 C6 C4 62.2(4) 2_656 2_656
C7 C6 C4 12.2(4) . 2_656
C5 C6 C4 117.5(5) . 2_656
C5 C6 C6 45.5(5) 2_656 2_656
C7 C6 C6 98.4(2) . 2_656
C5 C6 C6 39.7(4) . 2_656
C4 C6 C6 89.8(5) 2_656 2_656
C5 C6 H6A 110.9 2_656 .
C7 C6 H6A 120.0 . .
C5 C6 H6A 120.0 . .
C4 C6 H6A 121.1 2_656 .
C6 C6 H6A 128.6 2_656 .
C4 C7 C9 110(3) 2_656 2_656
C4 C7 C6 91.4(18) 2_656 .
C9 C7 C6 110.9(6) 2_656 .
C4 C7 C8 82(2) 2_656 .
C9 C7 C8 28.7(6) 2_656 .
C6 C7 C8 120.0 . .
C4 C7 C10 97(3) 2_656 .
C9 C7 C10 123.4(6) 2_656 .
C6 C7 C10 117.6(3) . .
C8 C7 C10 122.4(3) . .
C4 C7 C3 83(3) 2_656 2_656
C9 C7 C3 132.0(6) 2_656 2_656
C6 C7 C3 115.0(6) . 2_656
C8 C7 C3 122.9(6) . 2_656
C10 C7 C3 14.5(5) . 2_656
C4 C7 C5 43.2(17) 2_656 2_656
C9 C7 C5 114.5(9) 2_656 2_656
C6 C7 C5 48.7(5) . 2_656
C8 C7 C5 99.0(4) . 2_656
C10 C7 C5 118.9(5) . 2_656
C3 C7 C5 105.9(6) 2_656 2_656
C9 C8 C4 76.9(8) 2_656 2_656
C9 C8 C9 93.4(14) 2_656 .
C4 C8 C9 118.5(5) 2_656 .
C9 C8 C7 64.7(8) 2_656 .
C4 C8 C7 12.6(4) 2_656 .
C9 C8 C7 120.0 . .
C9 C8 C8 67.3(12) 2_656 2_656
C4 C8 C8 113.2(5) 2_656 2_656
C9 C8 C8 26.3(6) . 2_656
C7 C8 C8 108.7(3) . 2_656
C9 C8 H8A 111.6 2_656 .
C4 C8 H8A 119.9 2_656 .
C9 C8 H8A 120.0 . .
C7 C8 H8A 120.0 . .
C8 C8 H8A 125.2 2_656 .
C8 C9 C7 86.6(9) 2_656 2_656
C8 C9 C8 86.3(14) 2_656 .
C7 C9 C8 125.1(5) 2_656 .
C8 C9 C4 75.2(7) 2_656 .
C7 C9 C4 11.9(5) 2_656 .
C8 C9 C4 120.0 . .
C8 C9 C9 61.6(12) 2_656 2_656
C7 C9 C9 115.7(5) 2_656 2_656
C8 C9 C9 25.0(5) . 2_656
C4 C9 C9 106.5(3) . 2_656
C8 C9 H9A 108.6 2_656 .
C7 C9 H9A 113.8 2_656 .
C8 C9 H9A 120.0 . .
C4 C9 H9A 120.0 . .
C9 C9 H9A 128.4 2_656 .
C3 C10 N2 91(3) 2_656 2_656
C3 C10 N5 83(2) 2_656 .
N2 C10 N5 9(3) 2_656 .
C3 C10 C7 85(2) 2_656 .
N2 C10 C7 112(2) 2_656 .
N5 C10 C7 112.8(4) . .
C3 C10 C4 74(2) 2_656 2_656
N2 C10 C4 109(2) 2_656 2_656
N5 C10 C4 108.4(6) . 2_656
C7 C10 C4 10.8(4) . 2_656
C3 C10 H10A 155.5 2_656 .
N2 C10 H10A 101.8 2_656 .
N5 C10 H10A 109.1 . .
C7 C10 H10A 109.0 . .
C4 C10 H10A 119.7 2_656 .
C3 C10 H10B 47.7 2_656 .
N2 C10 H10B 116.5 2_656 .
N5 C10 H10B 109.0 . .
C7 C10 H10B 109.0 . .
C4 C10 H10B 102.4 2_656 .
H10A C10 H10B 107.8 . .
N2 N5 N3 142(10) 2_656 2_656
N2 N5 N6 151(9) 2_656 .
N3 N5 N6 18(3) 2_656 .
N2 N5 C12 45(10) 2_656 .
N3 N5 C12 109(2) 2_656 .
N6 N5 C12 108.0 . .
N2 N5 C10 69(10) 2_656 .
N3 N5 C10 134(3) 2_656 .
N6 N5 C10 139.4(10) . .
C12 N5 C10 112.6(10) . .
N2 N5 C3 84(10) 2_656 2_656
N3 N5 C3 120(3) 2_656 2_656
N6 N5 C3 124.0(10) . 2_656
C12 N5 C3 128.0(10) . 2_656
C10 N5 C3 15.4(5) . 2_656
N2 N5 C2 47(10) 2_656 2_656
N3 N5 C2 110(3) 2_656 2_656
N6 N5 C2 107.4(19) . 2_656
C12 N5 C2 4(2) . 2_656
C10 N5 C2 113(2) . 2_656
C3 N5 C2 128(2) 2_656 2_656
N3 N6 N5 73(9) 2_656 .
N3 N6 C11 101(6) 2_656 .
N5 N6 C11 108.0 . .
N3 N6 C1 85(5) 2_656 2_656
N5 N6 C1 109(3) . 2_656
C11 N6 C1 18(3) . 2_656
N3 N6 N2 72(9) 2_656 2_656
N5 N6 N2 4.3(16) . 2_656
C11 N6 N2 104.0(19) . 2_656
C1 N6 N2 105(4) 2_656 2_656
C1 C11 N6 96(6) 2_656 .
C1 C11 N4 95(9) 2_656 .
N6 C11 N4 108.0 . .
C1 C11 N1 88(9) 2_656 2_656
N6 C11 N1 117.6(10) . 2_656
N4 C11 N1 11.0(10) . 2_656
C1 C11 N3 82(6) 2_656 2_656
N6 C11 N3 15.7(19) . 2_656
N4 C11 N3 103(3) . 2_656
N1 C11 N3 111(2) 2_656 2_656
C1 C11 H11A 80.4 2_656 .
N6 C11 H11A 126.0 . .
N4 C11 H11A 126.0 . .
N1 C11 H11A 116.2 2_656 .
N3 C11 H11A 128.4 2_656 .
N1 N4 C2 134(5) 2_656 2_656
N1 N4 C12 140(5) 2_656 .
C2 N4 C12 13(3) 2_656 .
N1 N4 C11 101(5) 2_656 .
C2 N4 C11 120(3) 2_656 .
C12 N4 C11 108.0 . .
N1 N4 C1 91(5) 2_656 2_656
C2 N4 C1 123(4) 2_656 2_656
C12 N4 C1 109.7(17) . 2_656
C11 N4 C1 18(2) . 2_656
N1 N4 Cu1 29(5) 2_656 2_656
C2 N4 Cu1 118(3) 2_656 2_656
C12 N4 Cu1 129.3(7) . 2_656
C11 N4 Cu1 122.3(7) . 2_656
C1 N4 Cu1 116.3(16) 2_656 2_656
C2 C12 N2 159(10) 2_656 2_656
C2 C12 N4 71(10) 2_656 .
N2 C12 N4 116(3) 2_656 .
C2 C12 N5 157(10) 2_656 .
N2 C12 N5 8(3) 2_656 .
N4 C12 N5 108.0 . .
C2 C12 N1 68(9) 2_656 2_656
N2 C12 N1 120(3) 2_656 2_656
N4 C12 N1 6.6(10) . 2_656
N5 C12 N1 112.6(11) . 2_656
C2 C12 H12A 59.7 2_656 .
N2 C12 H12A 118.1 2_656 .
N4 C12 H12A 126.0 . .
N5 C12 H12A 126.0 . .
N1 C12 H12A 121.2 2_656 .
C14 N7 C13 103.0(4) . .
C14 N7 Cu1 130.4(4) . .
C13 N7 Cu1 125.7(3) . .
C13 N8 N9 103.0(4) . .
C14 N9 N8 110.2(4) . .
C14 N9 C15 129.6(4) . .
N8 N9 C15 119.8(4) . .
N8 C13 N7 113.7(5) . .
N8 C13 H13 123.1 . .
N7 C13 H13 123.1 . .
N9 C14 N7 110.0(5) . .
N9 C14 H14 125.0 . .
N7 C14 H14 125.0 . .
N9 C15 C16 110.6(4) . .
N9 C15 H15A 109.5 . .
C16 C15 H15A 109.5 . .
N9 C15 H15B 109.5 . .
C16 C15 H15B 109.5 . .
H15A C15 H15B 108.1 . .
C18 C16 C17 118.5(5) . .
C18 C16 C15 120.7(5) . .
C17 C16 C15 120.8(5) . .
C16 C17 C18 120.9(5) . 5_667
C16 C17 H17 119.6 . .
C18 C17 H17 119.6 5_667 .
C16 C18 C17 120.7(5) . 5_667
C16 C18 H18 119.7 . .
C17 C18 H18 119.7 5_667 .
F4' B1 F1 138.0(9) . .
F4' B1 F1' 130.5(13) . .
F1 B1 F1' 26.4(8) . .
F4' B1 F3 41.9(7) . .
F1 B1 F3 111.1(8) . .
F1' B1 F3 124.9(10) . .
F4' B1 F2 107.4(9) . .
F1 B1 F2 113.0(8) . .
F1' B1 F2 119.2(11) . .
F3 B1 F2 109.3(7) . .
F4' B1 F2' 113.2(12) . .
F1 B1 F2' 108.2(10) . .
F1' B1 F2' 103.5(13) . .
F3 B1 F2' 130.5(9) . .
F2 B1 F2' 24.8(8) . .
F4' B1 F3' 101.1(12) . .
F1 B1 F3' 71.2(8) . .
F1' B1 F3' 97.5(10) . .
F3 B1 F3' 59.7(9) . .
F2 B1 F3' 86.7(10) . .
F2' B1 F3' 108.4(12) . .
F4' B1 F4 66.4(9) . .
F1 B1 F4 104.8(7) . .
F1' B1 F4 79.3(9) . .
F3 B1 F4 103.5(6) . .
F2 B1 F4 114.6(7) . .
F2' B1 F4 94.1(9) . .
F3' B1 F4 157.3(10) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 N1 1.921(15) 7_566
Cu1 N1 1.921(15) .
Cu1 N7 2.009(4) .
Cu1 N7 2.009(4) 7_566
Cu1 N4 2.15(6) 2_656
Cu1 N4 2.15(7) 8_465
N1 N4 0.26(4) 2_656
N1 C11 1.35(8) 2_656
N1 C2 1.403(10) .
N1 C1 1.403(10) .
N1 C12 1.48(4) 2_656
C1 C11 0.42(6) 2_656
C1 N4 1.38(7) 2_656
C1 N6 1.39(4) 2_656
C1 N3 1.403(10) .
C1 H1A 0.9603 .
N3 N6 0.38(6) 2_656
N3 N5 1.22(2) 2_656
N3 C11 1.40(6) 2_656
N3 N2 1.403(10) .
N2 N5 0.23(3) 2_656
N2 C12 1.13(6) 2_656
N2 C10 1.391(16) 2_656
N2 C2 1.403(10) .
N2 C3 1.452(8) .
N2 N6 1.47(7) 2_656
C2 C12 0.29(7) 2_656
C2 N4 1.21(5) 2_656
C2 N5 1.55(3) 2_656
C2 H2A 0.9605 .
C3 C10 0.390(13) 2_656
C3 N5 1.459(15) 2_656
C3 C4 1.541(5) .
C3 C7 1.549(14) 2_656
C3 H3A 0.9600 .
C3 H3B 0.9601 .
C4 C7 0.303(11) 2_656
C4 C8 1.380(9) 2_656
C4 C5 1.3900 .
C4 C9 1.3900 .
C4 C6 1.430(10) 2_656
C4 C10 1.602(14) 2_656
C5 C6 1.245(14) 2_656
C5 C6 1.3900 .
C5 C7 1.596(8) 2_656
C5 H5A 0.9600 .
C6 C5 1.245(15) 2_656
C6 C7 1.3900 .
C6 C4 1.430(10) 2_656
C6 H6A 0.9599 .
C7 C4 0.303(10) 2_656
C7 C9 1.259(9) 2_656
C7 C8 1.3900 .
C7 C10 1.536(5) .
C7 C3 1.549(14) 2_656
C7 C5 1.596(10) 2_656
C8 C9 0.668(14) 2_656
C8 C4 1.380(11) 2_656
C8 C9 1.3900 .
C8 C8 1.503(16) 2_656
C8 H8A 0.9599 .
C9 C8 0.668(14) 2_656
C9 C7 1.258(8) 2_656
C9 C9 1.578(16) 2_656
C9 H9A 0.9599 .
C10 C3 0.390(13) 2_656
C10 N2 1.39(4) 2_656
C10 N5 1.458(9) .
C10 C4 1.602(14) 2_656
C10 H10A 0.9598 .
C10 H10B 0.9600 .
N5 N2 0.23(7) 2_656
N5 N3 1.22(6) 2_656
N5 N6 1.273(9) .
N5 C12 1.273(9) .
N5 C3 1.459(15) 2_656
N5 C2 1.55(6) 2_656
N6 N3 0.38(5) 2_656
N6 C11 1.273(9) .
N6 C1 1.39(4) 2_656
N6 N2 1.47(6) 2_656
C11 C1 0.42(6) 2_656
C11 N4 1.274(9) .
C11 N1 1.35(2) 2_656
C11 N3 1.40(4) 2_656
C11 H11A 0.9597 .
N4 N1 0.26(3) 2_656
N4 C2 1.21(5) 2_656
N4 C12 1.273(9) .
N4 C1 1.38(7) 2_656
N4 Cu1 2.147(14) 2_656
C12 C2 0.29(6) 2_656
C12 N2 1.13(5) 2_656
C12 N1 1.483(19) 2_656
C12 H12A 0.9596 .
N7 C14 1.326(6) .
N7 C13 1.367(6) .
N8 C13 1.306(6) .
N8 N9 1.360(6) .
N9 C14 1.314(6) .
N9 C15 1.454(6) .
C13 H13 0.9300 .
C14 H14 0.9300 .
C15 C16 1.505(6) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 C18 1.372(7) .
C16 C17 1.379(7) .
C17 C18 1.382(7) 5_667
C17 H17 0.9300 .
C18 C17 1.382(7) 5_667
C18 H18 0.9300 .
B1 F4' 1.301(9) .
B1 F1 1.335(8) .
B1 F1' 1.352(10) .
B1 F3 1.352(7) .
B1 F2 1.363(8) .
B1 F2' 1.392(10) .
B1 F3' 1.420(10) .
B1 F4 1.430(7) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
N1 Cu1 N1 N4 -171(30) 7_566 2_656
N7 Cu1 N1 N4 98(27) . 2_656
N7 Cu1 N1 N4 -82(27) 7_566 2_656
N4 Cu1 N1 N4 -180(100) 8_465 2_656
N1 Cu1 N1 C11 -48(9) 7_566 2_656
N7 Cu1 N1 C11 -139(4) . 2_656
N7 Cu1 N1 C11 41(4) 7_566 2_656
N4 Cu1 N1 C11 123(29) 2_656 2_656
N4 Cu1 N1 C11 -57(33) 8_465 2_656
N1 Cu1 N1 C2 147(6) 7_566 .
N7 Cu1 N1 C2 55.4(4) . .
N7 Cu1 N1 C2 -124.6(4) 7_566 .
N4 Cu1 N1 C2 -42(27) 2_656 .
N4 Cu1 N1 C2 138(31) 8_465 .
N1 Cu1 N1 C1 -25(6) 7_566 .
N7 Cu1 N1 C1 -116.2(8) . .
N7 Cu1 N1 C1 63.8(8) 7_566 .
N4 Cu1 N1 C1 146(27) 2_656 .
N4 Cu1 N1 C1 -34(31) 8_465 .
N1 Cu1 N1 C12 141(7) 7_566 2_656
N7 Cu1 N1 C12 50(3) . 2_656
N7 Cu1 N1 C12 -130(3) 7_566 2_656
N4 Cu1 N1 C12 -48(24) 2_656 2_656
N4 Cu1 N1 C12 132(29) 8_465 2_656
N4 N1 C1 C11 49(9) 2_656 2_656
C2 N1 C1 C11 75(7) . 2_656
C12 N1 C1 C11 78(6) 2_656 2_656
Cu1 N1 C1 C11 -113(7) . 2_656
C11 N1 C1 N4 -49(10) 2_656 2_656
C2 N1 C1 N4 25(14) . 2_656
C12 N1 C1 N4 28(12) 2_656 2_656
Cu1 N1 C1 N4 -162(14) . 2_656
N4 N1 C1 N6 -9(12) 2_656 2_656
C11 N1 C1 N6 -58(5) 2_656 2_656
C2 N1 C1 N6 17(3) . 2_656
C12 N1 C1 N6 19.6(6) 2_656 2_656
Cu1 N1 C1 N6 -171(3) . 2_656
N4 N1 C1 N3 -25(14) 2_656 .
C11 N1 C1 N3 -75(7) 2_656 .
C2 N1 C1 N3 0.0 . .
C12 N1 C1 N3 3(2) 2_656 .
Cu1 N1 C1 N3 172.4(8) . .
C11 C1 N3 N6 20(4) 2_656 2_656
N4 C1 N3 N6 85(10) 2_656 2_656
N1 C1 N3 N6 90(10) . 2_656
C11 C1 N3 N5 -65(10) 2_656 2_656
N4 C1 N3 N5 0(3) 2_656 2_656
N6 C1 N3 N5 -85(10) 2_656 2_656
N1 C1 N3 N5 4.6(6) . 2_656
N4 C1 N3 C11 65(9) 2_656 2_656
N6 C1 N3 C11 -20(4) 2_656 2_656
N1 C1 N3 C11 70(10) . 2_656
C11 C1 N3 N2 -70(10) 2_656 .
N4 C1 N3 N2 -5(3) 2_656 .
N6 C1 N3 N2 -90(10) 2_656 .
N1 C1 N3 N2 0.0 . .
N6 N3 N2 N5 51(9) 2_656 2_656
C11 N3 N2 N5 114(8) 2_656 2_656
C1 N3 N2 N5 131(7) . 2_656
N6 N3 N2 C12 -84(9) 2_656 2_656
N5 N3 N2 C12 -135(9) 2_656 2_656
C11 N3 N2 C12 -20.6(12) 2_656 2_656
C1 N3 N2 C12 -4(3) . 2_656
N6 N3 N2 C10 105(8) 2_656 2_656
N5 N3 N2 C10 54(7) 2_656 2_656
C11 N3 N2 C10 169(3) 2_656 2_656
C1 N3 N2 C10 -174.8(8) . 2_656
N6 N3 N2 C2 -80(8) 2_656 .
N5 N3 N2 C2 -131(7) 2_656 .
C11 N3 N2 C2 -17(2) 2_656 .
C1 N3 N2 C2 0.0 . .
N6 N3 N2 C3 101(8) 2_656 .
N5 N3 N2 C3 50(7) 2_656 .
C11 N3 N2 C3 164(2) 2_656 .
C1 N3 N2 C3 -179.0(2) . .
N5 N3 N2 N6 -51(9) 2_656 2_656
C11 N3 N2 N6 63(8) 2_656 2_656
C1 N3 N2 N6 80(8) . 2_656
N4 N1 C2 C12 57(24) 2_656 2_656
C11 N1 C2 C12 33(10) 2_656 2_656
C1 N1 C2 C12 15(12) . 2_656
Cu1 N1 C2 C12 -158(12) . 2_656
C11 N1 C2 N4 -25(22) 2_656 2_656
C1 N1 C2 N4 -42(25) . 2_656
C12 N1 C2 N4 -57(23) 2_656 2_656
Cu1 N1 C2 N4 145(25) . 2_656
N4 N1 C2 N2 42(24) 2_656 .
C11 N1 C2 N2 17(3) 2_656 .
C1 N1 C2 N2 0.0 . .
C12 N1 C2 N2 -15(12) 2_656 .
Cu1 N1 C2 N2 -173.2(8) . .
N4 N1 C2 N5 39(24) 2_656 2_656
C11 N1 C2 N5 14(3) 2_656 2_656
C1 N1 C2 N5 -3.4(4) . 2_656
C12 N1 C2 N5 -19(12) 2_656 2_656
Cu1 N1 C2 N5 -176.6(10) . 2_656
N5 N2 C2 N4 -24(6) 2_656 2_656
C10 N2 C2 N4 180(3) 2_656 2_656
N3 N2 C2 N4 5(3) . 2_656
C3 N2 C2 N4 -176(3) . 2_656
N6 N2 C2 N4 -10.0(14) 2_656 2_656
N5 N2 C2 N1 -30(5) 2_656 .
C10 N2 C2 N1 174.6(9) 2_656 .
N3 N2 C2 N1 0.0 . .
C3 N2 C2 N1 178.4(4) . .
N6 N2 C2 N1 -15.4(19) 2_656 .
C10 N2 C2 N5 -156(5) 2_656 2_656
N3 N2 C2 N5 30(4) . 2_656
C3 N2 C2 N5 -152(5) . 2_656
N6 N2 C2 N5 14(5) 2_656 2_656
N5 N2 C3 C10 -169(5) 2_656 2_656
C12 N2 C3 C10 -5(5) 2_656 2_656
N3 N2 C3 C10 167(2) . 2_656
C2 N2 C3 C10 -12(3) . 2_656
N6 N2 C3 C10 -177(4) 2_656 2_656
C12 N2 C3 N5 164(6) 2_656 2_656
C10 N2 C3 N5 169(5) 2_656 2_656
N3 N2 C3 N5 -24(4) . 2_656
C2 N2 C3 N5 158(4) . 2_656
N6 N2 C3 N5 -8(4) 2_656 2_656
N5 N2 C3 C4 105(3) 2_656 .
C12 N2 C3 C4 -91(5) 2_656 .
C10 N2 C3 C4 -86(2) 2_656 .
N3 N2 C3 C4 80.9(6) . .
C2 N2 C3 C4 -97.5(7) . .
N6 N2 C3 C4 97(2) 2_656 .
N5 N2 C3 C7 117(4) 2_656 2_656
C12 N2 C3 C7 -79(5) 2_656 2_656
C10 N2 C3 C7 -74(2) 2_656 2_656
N3 N2 C3 C7 92.7(8) . 2_656
C2 N2 C3 C7 -85.7(9) . 2_656
N6 N2 C3 C7 109(2) 2_656 2_656
C10 C3 C4 C7 12(2) 2_656 2_656
N2 C3 C4 C7 84.6(9) . 2_656
N5 C3 C4 C7 93.8(9) 2_656 2_656
C10 C3 C4 C8 -70(2) 2_656 2_656
N2 C3 C4 C8 2.7(9) . 2_656
N5 C3 C4 C8 12.0(8) 2_656 2_656
C7 C3 C4 C8 -81.8(5) 2_656 2_656
C10 C3 C4 C5 143(2) 2_656 .
N2 C3 C4 C5 -143.9(8) . .
N5 C3 C4 C5 -134.6(8) 2_656 .
C7 C3 C4 C5 131.6(7) 2_656 .
C10 C3 C4 C9 -37(2) 2_656 .
N2 C3 C4 C9 36.2(8) . .
N5 C3 C4 C9 45.4(8) 2_656 .
C7 C3 C4 C9 -48.4(7) 2_656 .
C10 C3 C4 C6 85(3) 2_656 2_656
N2 C3 C4 C6 157.8(9) . 2_656
N5 C3 C4 C6 167.1(9) 2_656 2_656
C7 C3 C4 C6 73.3(12) 2_656 2_656
N2 C3 C4 C10 73(3) . 2_656
N5 C3 C4 C10 82(2) 2_656 2_656
C7 C3 C4 C10 -12(2) 2_656 2_656
C7 C4 C5 C6 9(2) 2_656 2_656
C8 C4 C5 C6 110.1(10) 2_656 2_656
C9 C4 C5 C6 81.0(6) . 2_656
C3 C4 C5 C6 -99.0(6) . 2_656
C10 C4 C5 C6 -88.2(7) 2_656 2_656
C7 C4 C5 C6 -72(3) 2_656 .
C8 C4 C5 C6 29.1(6) 2_656 .
C9 C4 C5 C6 0.0 . .
C6 C4 C5 C6 -81.0(6) 2_656 .
C3 C4 C5 C6 -179.95(9) . .
C10 C4 C5 C6 -169.2(6) 2_656 .
C8 C4 C5 C7 101(3) 2_656 2_656
C9 C4 C5 C7 72(3) . 2_656
C6 C4 C5 C7 -9(2) 2_656 2_656
C3 C4 C5 C7 -108(3) . 2_656
C10 C4 C5 C7 -97(3) 2_656 2_656
C7 C4 C5 C5 -31(2) 2_656 2_656
C8 C4 C5 C5 70.0(8) 2_656 2_656
C9 C4 C5 C5 40.9(4) . 2_656
C6 C4 C5 C5 -40.1(4) 2_656 2_656
C3 C4 C5 C5 -139.1(4) . 2_656
C10 C4 C5 C5 -128.3(7) 2_656 2_656
C6 C5 C6 C5 4.30(5) 2_656 2_656
C4 C5 C6 C5 68.7 . 2_656
C7 C5 C6 C5 59.5(4) 2_656 2_656
C6 C5 C6 C7 -64.4 2_656 .
C4 C5 C6 C7 0.0 . .
C7 C5 C6 C7 -9.2(4) 2_656 .
C5 C5 C6 C7 -68.7 2_656 .
C6 C5 C6 C4 -50.7(4) 2_656 2_656
C4 C5 C6 C4 13.7(4) . 2_656
C7 C5 C6 C4 4.5(3) 2_656 2_656
C5 C5 C6 C4 -55.0(4) 2_656 2_656
C4 C5 C6 C6 64.4 . 2_656
C7 C5 C6 C6 55.2(4) 2_656 2_656
C5 C5 C6 C6 -4.30(5) 2_656 2_656
C5 C6 C7 C4 7(2) 2_656 2_656
C5 C6 C7 C4 81(3) . 2_656
C6 C6 C7 C4 46(2) 2_656 2_656
C5 C6 C7 C9 -104.8(10) 2_656 2_656
C5 C6 C7 C9 -30.2(7) . 2_656
C4 C6 C7 C9 -112(3) 2_656 2_656
C6 C6 C7 C9 -65.8(8) 2_656 2_656
C5 C6 C7 C8 -74.6(6) 2_656 .
C5 C6 C7 C8 0.0 . .
C4 C6 C7 C8 -81(3) 2_656 .
C6 C6 C7 C8 -35.6(4) 2_656 .
C5 C6 C7 C10 105.5(6) 2_656 .
C5 C6 C7 C10 -179.9(3) . .
C4 C6 C7 C10 99(3) 2_656 .
C6 C6 C7 C10 144.5(4) 2_656 .
C5 C6 C7 C3 89.6(6) 2_656 2_656
C5 C6 C7 C3 164.1(5) . 2_656
C4 C6 C7 C3 83(2) 2_656 2_656
C6 C6 C7 C3 128.6(6) 2_656 2_656
C5 C6 C7 C5 74.6(6) . 2_656
C4 C6 C7 C5 -7(2) 2_656 2_656
C6 C6 C7 C5 39.0(4) 2_656 2_656
C4 C7 C8 C9 -166(3) 2_656 2_656
C6 C7 C8 C9 -78.6(13) . 2_656
C10 C7 C8 C9 101.3(13) . 2_656
C3 C7 C8 C9 118.5(13) 2_656 2_656
C5 C7 C8 C9 -125.8(15) 2_656 2_656
C9 C7 C8 C4 166(3) 2_656 2_656
C6 C7 C8 C4 87(2) . 2_656
C10 C7 C8 C4 -93(2) . 2_656
C3 C7 C8 C4 -76(2) 2_656 2_656
C5 C7 C8 C4 39.7(19) 2_656 2_656
C4 C7 C8 C9 -87(2) 2_656 .
C9 C7 C8 C9 78.6(13) 2_656 .
C6 C7 C8 C9 0.0 . .
C10 C7 C8 C9 179.9(3) . .
C3 C7 C8 C9 -162.8(5) 2_656 .
C5 C7 C8 C9 -47.1(5) 2_656 .
C4 C7 C8 C8 -113(2) 2_656 2_656
C9 C7 C8 C8 52.4(11) 2_656 2_656
C6 C7 C8 C8 -26.2(5) . 2_656
C10 C7 C8 C8 153.7(6) . 2_656
C3 C7 C8 C8 170.9(8) 2_656 2_656
C5 C7 C8 C8 -73.4(7) 2_656 2_656
C9 C8 C9 C8 -7.99(17) 2_656 2_656
C4 C8 C9 C8 -84.9(5) 2_656 2_656
C7 C8 C9 C8 -70.58(10) . 2_656
C9 C8 C9 C7 75.3(6) 2_656 2_656
C4 C8 C9 C7 -1.6(4) 2_656 2_656
C7 C8 C9 C7 12.7(6) . 2_656
C8 C8 C9 C7 83.3(7) 2_656 2_656
C9 C8 C9 C4 62.58(10) 2_656 .
C4 C8 C9 C4 -14.3(5) 2_656 .
C7 C8 C9 C4 0.0 . .
C8 C8 C9 C4 70.58(9) 2_656 .
C4 C8 C9 C9 -76.9(4) 2_656 2_656
C7 C8 C9 C9 -62.58(10) . 2_656
C8 C8 C9 C9 7.99(17) 2_656 2_656
C7 C4 C9 C8 -164(4) 2_656 2_656
C5 C4 C9 C8 76.7(13) . 2_656
C6 C4 C9 C8 129.7(16) 2_656 2_656
C3 C4 C9 C8 -103.3(12) . 2_656
C10 C4 C9 C8 -112.3(12) 2_656 2_656
C8 C4 C9 C7 164(4) 2_656 2_656
C5 C4 C9 C7 -119(2) . 2_656
C6 C4 C9 C7 -66(2) 2_656 2_656
C3 C4 C9 C7 61(2) . 2_656
C10 C4 C9 C7 52(2) 2_656 2_656
C7 C4 C9 C8 119(2) 2_656 .
C8 C4 C9 C8 -76.7(13) 2_656 .
C5 C4 C9 C8 0.0 . .
C6 C4 C9 C8 52.9(6) 2_656 .
C3 C4 C9 C8 179.95(9) . .
C10 C4 C9 C8 171.0(5) 2_656 .
C7 C4 C9 C9 142(3) 2_656 2_656
C8 C4 C9 C9 -53.7(11) 2_656 2_656
C5 C4 C9 C9 23.0(5) . 2_656
C6 C4 C9 C9 76.0(8) 2_656 2_656
C3 C4 C9 C9 -157.0(4) . 2_656
C10 C4 C9 C9 -166.0(8) 2_656 2_656
C4 C7 C10 C3 11.7(16) 2_656 2_656
C9 C7 C10 C3 131(3) 2_656 2_656
C6 C7 C10 C3 -84(2) . 2_656
C8 C7 C10 C3 97(2) . 2_656
C5 C7 C10 C3 -28(2) 2_656 2_656
C4 C7 C10 N2 -77(3) 2_656 2_656
C9 C7 C10 N2 42(3) 2_656 2_656
C6 C7 C10 N2 -173(3) . 2_656
C8 C7 C10 N2 8(3) . 2_656
C3 C7 C10 N2 -89(4) 2_656 2_656
C5 C7 C10 N2 -117(3) 2_656 2_656
C4 C7 C10 N5 -67.9(18) 2_656 .
C9 C7 C10 N5 51.3(10) 2_656 .
C6 C7 C10 N5 -163.1(8) . .
C8 C7 C10 N5 17.0(9) . .
C3 C7 C10 N5 -80(2) 2_656 .
C5 C7 C10 N5 -107.4(9) 2_656 .
C9 C7 C10 C4 119(2) 2_656 2_656
C6 C7 C10 C4 -95.3(18) . 2_656
C8 C7 C10 C4 84.8(18) . 2_656
C3 C7 C10 C4 -11.7(16) 2_656 2_656
C5 C7 C10 C4 -39.5(16) 2_656 2_656
C3 C10 N5 N2 -169(14) 2_656 2_656
C7 C10 N5 N2 -88(13) . 2_656
C4 C10 N5 N2 -98(13) 2_656 2_656
C3 C10 N5 N3 -25(4) 2_656 2_656
N2 C10 N5 N3 144(16) 2_656 2_656
C7 C10 N5 N3 56(4) . 2_656
C4 C10 N5 N3 46(3) 2_656 2_656
C3 C10 N5 N6 0(2) 2_656 .
N2 C10 N5 N6 169(13) 2_656 .
C7 C10 N5 N6 81.0(8) . .
C4 C10 N5 N6 70.4(8) 2_656 .
C3 C10 N5 C12 -180(2) 2_656 .
N2 C10 N5 C12 -11(13) 2_656 .
C7 C10 N5 C12 -98.8(7) . .
C4 C10 N5 C12 -109.3(8) 2_656 .
N2 C10 N5 C3 169(14) 2_656 2_656
C7 C10 N5 C3 81(2) . 2_656
C4 C10 N5 C3 70(2) 2_656 2_656
C3 C10 N5 C2 176(3) 2_656 2_656
N2 C10 N5 C2 -15(11) 2_656 2_656
C7 C10 N5 C2 -103(2) . 2_656
C4 C10 N5 C2 -114(2) 2_656 2_656
N2 N5 N6 N3 75(25) 2_656 2_656
C12 N5 N6 N3 96(7) . 2_656
C10 N5 N6 N3 -83(7) . 2_656
C3 N5 N6 N3 -83(7) 2_656 2_656
C2 N5 N6 N3 101(7) 2_656 2_656
N2 N5 N6 C11 -21(28) 2_656 .
N3 N5 N6 C11 -96(7) 2_656 .
C12 N5 N6 C11 0.0 . .
C10 N5 N6 C11 -179.71(17) . .
C3 N5 N6 C11 -179.7(8) 2_656 .
C2 N5 N6 C11 4(2) 2_656 .
N2 N5 N6 C1 -3(25) 2_656 2_656
N3 N5 N6 C1 -78(6) 2_656 2_656
C12 N5 N6 C1 19(3) . 2_656
C10 N5 N6 C1 -161(3) . 2_656
C3 N5 N6 C1 -161(3) 2_656 2_656
C2 N5 N6 C1 22.8(12) 2_656 2_656
N3 N5 N6 N2 -75(24) 2_656 2_656
C12 N5 N6 N2 21(28) . 2_656
C10 N5 N6 N2 -158(28) . 2_656
C3 N5 N6 N2 -158(28) 2_656 2_656
C2 N5 N6 N2 26(26) 2_656 2_656
N3 N6 C11 C1 22(4) 2_656 2_656
N5 N6 C11 C1 97(9) . 2_656
N2 N6 C11 C1 96(9) 2_656 2_656
N3 N6 C11 N4 -75(10) 2_656 .
N5 N6 C11 N4 0.0 . .
C1 N6 C11 N4 -97(9) 2_656 .
N2 N6 C11 N4 -1.6(19) 2_656 .
N3 N6 C11 N1 -70(10) 2_656 2_656
N5 N6 C11 N1 5.8(11) . 2_656
C1 N6 C11 N1 -92(9) 2_656 2_656
N2 N6 C11 N1 4(2) 2_656 2_656
N5 N6 C11 N3 75(10) . 2_656
C1 N6 C11 N3 -22(4) 2_656 2_656
N2 N6 C11 N3 74(10) 2_656 2_656
C1 C11 N4 N1 54(7) 2_656 2_656
N6 C11 N4 N1 152(5) . 2_656
N3 C11 N4 N1 136(5) 2_656 2_656
C1 C11 N4 C2 -104(8) 2_656 2_656
N6 C11 N4 C2 -6(3) . 2_656
N1 C11 N4 C2 -158(6) 2_656 2_656
N3 C11 N4 C2 -21.6(17) 2_656 2_656
C1 C11 N4 C12 -98(6) 2_656 .
N6 C11 N4 C12 0.0 . .
N1 C11 N4 C12 -152(5) 2_656 .
N3 C11 N4 C12 -15.6(19) 2_656 .
N6 C11 N4 C1 98(6) . 2_656
N1 C11 N4 C1 -54(7) 2_656 2_656
N3 C11 N4 C1 83(6) 2_656 2_656
C1 C11 N4 Cu1 75(5) 2_656 2_656
N6 C11 N4 Cu1 173.5(8) . 2_656
N1 C11 N4 Cu1 21(5) 2_656 2_656
N3 C11 N4 Cu1 158(2) 2_656 2_656
N1 N4 C12 C2 69(17) 2_656 2_656
C11 N4 C12 C2 -156(11) . 2_656
C1 N4 C12 C2 -175(13) 2_656 2_656
Cu1 N4 C12 C2 31(11) 2_656 2_656
N1 N4 C12 N2 -132(8) 2_656 2_656
C2 N4 C12 N2 159(13) 2_656 2_656
C11 N4 C12 N2 2(3) . 2_656
C1 N4 C12 N2 -16.4(7) 2_656 2_656
Cu1 N4 C12 N2 -171(3) 2_656 2_656
N1 N4 C12 N5 -135(9) 2_656 .
C2 N4 C12 N5 156(11) 2_656 .
C11 N4 C12 N5 0.0 . .
C1 N4 C12 N5 -19(2) 2_656 .
Cu1 N4 C12 N5 -172.9(9) 2_656 .
C2 N4 C12 N1 -69(17) 2_656 2_656
C11 N4 C12 N1 135(9) . 2_656
C1 N4 C12 N1 116(8) 2_656 2_656
Cu1 N4 C12 N1 -38(8) 2_656 2_656
N3 N5 C12 C2 101(27) 2_656 2_656
N6 N5 C12 C2 83(26) . 2_656
C10 N5 C12 C2 -97(26) . 2_656
C3 N5 C12 C2 -97(26) 2_656 2_656
N3 N5 C12 N2 -147(18) 2_656 2_656
N6 N5 C12 N2 -165(16) . 2_656
C10 N5 C12 N2 14(16) . 2_656
C3 N5 C12 N2 14(15) 2_656 2_656
N2 N5 C12 N4 165(16) 2_656 .
N3 N5 C12 N4 19(3) 2_656 .
N6 N5 C12 N4 0.0 . .
C10 N5 C12 N4 179.81(12) . .
C3 N5 C12 N4 179.7(8) 2_656 .
C2 N5 C12 N4 -83(26) 2_656 .
N2 N5 C12 N1 160(16) 2_656 2_656
N3 N5 C12 N1 13(3) 2_656 2_656
N6 N5 C12 N1 -5.1(10) . 2_656
C10 N5 C12 N1 174.7(10) . 2_656
C3 N5 C12 N1 174.6(11) 2_656 2_656
C2 N5 C12 N1 -88(26) 2_656 2_656
N1 Cu1 N7 C14 73.5(5) 7_566 .
N1 Cu1 N7 C14 -106.5(5) . .
N7 Cu1 N7 C14 137(11) 7_566 .
N4 Cu1 N7 C14 -102.8(17) 2_656 .
N4 Cu1 N7 C14 77(2) 8_465 .
N1 Cu1 N7 C13 -119.0(5) 7_566 .
N1 Cu1 N7 C13 61.0(5) . .
N7 Cu1 N7 C13 -56(11) 7_566 .
N4 Cu1 N7 C13 64.7(17) 2_656 .
N4 Cu1 N7 C13 -115(2) 8_465 .
C13 N8 N9 C14 0.6(5) . .
C13 N8 N9 C15 174.3(4) . .
N9 N8 C13 N7 -0.5(6) . .
C14 N7 C13 N8 0.2(6) . .
Cu1 N7 C13 N8 -170.0(3) . .
N8 N9 C14 N7 -0.5(5) . .
C15 N9 C14 N7 -173.4(4) . .
C13 N7 C14 N9 0.2(5) . .
Cu1 N7 C14 N9 169.8(3) . .
C14 N9 C15 C16 108.9(6) . .
N8 N9 C15 C16 -63.5(6) . .
N9 C15 C16 C18 124.9(5) . .
N9 C15 C16 C17 -55.0(7) . .
C18 C16 C17 C18 -0.1(9) . 5_667
C15 C16 C17 C18 179.8(5) . 5_667
C17 C16 C18 C17 0.0(9) . 5_667
C15 C16 C18 C17 -179.8(5) . 5_667
