#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:50:43 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179131 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/93/4309336.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_4309336
loop_
_publ_author_name
'Wen Li Jia'
'Theresa MCormick'
'Ye Tao'
'Jian-Ping Lu'
'Suning Wang'
_publ_section_title
;
New Phosphorescent Polynuclear Cu(I) Compounds Based on Linear and
Star-Shaped 2-(2'-Pyridyl)benzimidazolyl Derivatives: Syntheses,
Structures, Luminescence, and Electroluminescence
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5706
_journal_page_last               5712
_journal_paper_doi               10.1021/ic0504893
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C156 H126 B3 Cl5 Cu3 F12 N9 P6'
_chemical_formula_weight         2940.77
_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                92.044(5)
_cell_angle_beta                 101.857(6)
_cell_angle_gamma                96.359(6)
_cell_formula_units_Z            2
_cell_length_a                   13.444(4)
_cell_length_b                   17.235(6)
_cell_length_c                   30.992(10)
_cell_measurement_temperature    180(2)
_cell_volume                     6972(4)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_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      180(2)
_diffrn_measured_fraction_theta_full 0.815
_diffrn_measured_fraction_theta_max 0.815
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω 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  0.0606
_diffrn_reflns_av_sigmaI/netI    0.1932
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_number            42390
_diffrn_reflns_theta_full        28.36
_diffrn_reflns_theta_max         28.36
_diffrn_reflns_theta_min         1.19
_exptl_absorpt_coefficient_mu    0.691
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.819
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.401
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             3020
_exptl_crystal_size_max          .1
_exptl_crystal_size_mid          .3
_exptl_crystal_size_min          .5
_refine_diff_density_max         1.014
_refine_diff_density_min         -0.898
_refine_diff_density_rms         0.094
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.101
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1705
_refine_ls_number_reflns         28402
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.101
_refine_ls_R_factor_all          0.2400
_refine_ls_R_factor_gt           0.0991
_refine_ls_shift/su_max          0.031
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1000P)²+3.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2168
_refine_ls_wR_factor_ref         0.2692
_reflns_number_gt                11339
_reflns_number_total             28402
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0504893si20050515_032118.cif
_cod_data_source_block           tm3a
_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 
;
_cod_database_code               4309336
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
Cu1 Cu 0.71111(7) 0.25031(5) 0.95235(3) 0.0300(2) Uani 1 1 d . . .
Cu2 Cu 1.19687(7) 0.68642(6) 0.72120(3) 0.0386(3) Uani 1 1 d . . .
Cu3 Cu 0.69881(11) 0.18634(7) 0.62099(4) 0.0730(4) Uani 1 1 d . . .
P1 P 0.5763(2) 0.09440(14) 0.63150(7) 0.0506(6) Uani 1 1 d . . .
P2 P 0.7508(2) 0.22714(15) 0.56030(8) 0.0538(7) Uani 1 1 d . . .
P3 P 0.66658(14) 0.30685(11) 1.01040(6) 0.0285(5) Uani 1 1 d . . .
P4 P 1.27690(15) 0.61402(13) 0.68022(7) 0.0372(5) Uani 1 1 d . . .
P5 P 0.71383(15) 0.12201(11) 0.93608(6) 0.0313(5) Uani 1 1 d . . .
P6 P 1.21601(18) 0.81680(13) 0.73149(7) 0.0427(6) Uani 1 1 d . . .
N1 N 0.8455(4) 0.3053(3) 0.9397(2) 0.0313(15) Uani 1 1 d . . .
N2 N 0.6544(4) 0.2993(4) 0.89031(19) 0.0314(15) Uani 1 1 d . . .
N3 N 0.9235(4) 0.3485(3) 0.88616(19) 0.0299(15) Uani 1 1 d . . .
N4 N 1.1966(5) 0.6230(4) 0.77674(19) 0.0353(16) Uani 1 1 d . . .
N5 N 1.0398(5) 0.6405(4) 0.7090(2) 0.0368(16) Uani 1 1 d . . .
N6 N 1.1107(4) 0.5221(4) 0.80208(19) 0.0297(15) Uani 1 1 d . . .
N7 N 0.8035(9) 0.2085(8) 0.6752(4) 0.041(3) Uiso 0.50 1 d P . .
N7A N 0.7402(9) 0.2772(7) 0.6631(4) 0.036(3) Uiso 0.50 1 d P . .
N8 N 0.8962(8) 0.2850(7) 0.7309(4) 0.032(3) Uiso 0.50 1 d P . .
N8A N 0.8205(8) 0.3430(7) 0.7249(4) 0.031(3) Uiso 0.50 1 d P . .
N9A N 0.6588(9) 0.2999(8) 0.6503(4) 0.033(3) Uiso 0.50 1 d P . .
N9 N 0.8541(11) 0.1563(8) 0.6721(5) 0.041(4) Uiso 0.50 1 d P . .
C1 C 0.4645(7) 0.0716(5) 0.5868(3) 0.048(2) Uani 1 1 d . . .
C2 C 0.3998(8) 0.1274(6) 0.5770(3) 0.061(3) Uani 1 1 d . . .
H2A H 0.4122 0.1745 0.5952 0.074 Uiso 1 1 calc R . .
C3 C 0.3166(8) 0.1178(7) 0.5415(3) 0.070(3) Uani 1 1 d . . .
H3A H 0.2719 0.1569 0.5360 0.084 Uiso 1 1 calc R . .
C4 C 0.3002(7) 0.0507(6) 0.5144(3) 0.065(3) Uani 1 1 d . . .
H4A H 0.2457 0.0442 0.4891 0.078 Uiso 1 1 calc R . .
C5 C 0.3624(8) -0.0068(6) 0.5240(3) 0.066(3) Uani 1 1 d . . .
H5A H 0.3487 -0.0539 0.5058 0.080 Uiso 1 1 calc R . .
C6 C 0.4458(7) 0.0022(5) 0.5599(3) 0.054(2) Uani 1 1 d . . .
H6A H 0.4888 -0.0379 0.5659 0.065 Uiso 1 1 calc R . .
C7 C 0.6361(7) 0.0064(5) 0.6425(3) 0.060(3) Uani 1 1 d . . .
C8 C 0.6480(9) -0.0243(6) 0.6840(4) 0.087(4) Uani 1 1 d . . .
H8A H 0.6144 -0.0052 0.7056 0.104 Uiso 1 1 calc R . .
C9 C 0.7111(12) -0.0845(7) 0.6932(5) 0.120(5) Uani 1 1 d . . .
H9A H 0.7233 -0.1042 0.7218 0.144 Uiso 1 1 calc R . .
C10 C 0.7550(11) -0.1146(7) 0.6610(6) 0.111(5) Uani 1 1 d . . .
H10A H 0.7969 -0.1553 0.6676 0.133 Uiso 1 1 calc R . .
C11 C 0.6818(7) -0.0268(6) 0.6102(3) 0.065(3) Uani 1 1 d . . .
H11A H 0.6723 -0.0068 0.5817 0.078 Uiso 1 1 calc R . .
C12 C 0.7392(9) -0.0866(7) 0.6191(4) 0.081(3) Uani 1 1 d . . .
H12A H 0.7681 -0.1091 0.5968 0.098 Uiso 1 1 calc R . .
C13 C 0.5223(8) 0.1159(5) 0.6792(3) 0.056(3) Uani 1 1 d . . .
C14 C 0.5447(11) 0.1845(7) 0.7505(3) 0.085(4) Uani 1 1 d . . .
H14A H 0.5888 0.2156 0.7742 0.102 Uiso 1 1 calc R . .
C15 C 0.5781(8) 0.1620(6) 0.7136(3) 0.067(3) Uani 1 1 d . . .
H15A H 0.6465 0.1805 0.7122 0.081 Uiso 1 1 calc R . .
C16 C 0.4449(12) 0.1601(7) 0.7514(4) 0.091(4) Uani 1 1 d . . .
H16A H 0.4189 0.1756 0.7763 0.109 Uiso 1 1 calc R . .
C17 C 0.3807(10) 0.1137(8) 0.7175(4) 0.094(4) Uani 1 1 d . . .
H17A H 0.3117 0.0970 0.7189 0.113 Uiso 1 1 calc R . .
C18 C 0.4206(10) 0.0918(6) 0.6804(3) 0.075(3) Uani 1 1 d . . .
H18A H 0.3778 0.0607 0.6564 0.090 Uiso 1 1 calc R . .
C19 C 0.6541(8) 0.2282(5) 0.5103(3) 0.051(2) Uani 1 1 d . . .
C20 C 0.5555(8) 0.2050(6) 0.5105(3) 0.066(3) Uani 1 1 d . . .
H20A H 0.5379 0.1886 0.5372 0.079 Uiso 1 1 calc R . .
C21 C 0.4762(9) 0.2043(7) 0.4717(4) 0.086(4) Uani 1 1 d . . .
H21A H 0.4065 0.1906 0.4730 0.103 Uiso 1 1 calc R . .
C22 C 0.5018(9) 0.2229(6) 0.4341(4) 0.073(3) Uani 1 1 d . . .
H22A H 0.4502 0.2215 0.4080 0.088 Uiso 1 1 calc R . .
C23 C 0.6011(10) 0.2438(7) 0.4326(4) 0.086(4) Uani 1 1 d . . .
H23A H 0.6181 0.2554 0.4051 0.103 Uiso 1 1 calc R . .
C24 C 0.6793(8) 0.2488(7) 0.4706(3) 0.084(4) Uani 1 1 d . . .
H24A H 0.7482 0.2659 0.4692 0.101 Uiso 1 1 calc R . .
C25 C 0.8527(8) 0.1783(6) 0.5446(3) 0.061(3) Uani 1 1 d . . .
C26 C 0.8683(9) 0.1074(8) 0.5601(4) 0.087(4) Uani 1 1 d . . .
H26A H 0.8262 0.0846 0.5786 0.105 Uiso 1 1 calc R . .
C27 C 0.9459(11) 0.0668(8) 0.5493(5) 0.107(5) Uani 1 1 d . . .
H27A H 0.9556 0.0166 0.5601 0.129 Uiso 1 1 calc R . .
C28 C 1.0066(11) 0.1000(11) 0.5234(6) 0.117(5) Uani 1 1 d . . .
H28A H 1.0601 0.0735 0.5164 0.141 Uiso 1 1 calc R . .
C29 C 0.9138(11) 0.2082(9) 0.5177(4) 0.124(5) Uani 1 1 d . . .
H29A H 0.9020 0.2571 0.5056 0.148 Uiso 1 1 calc R . .
C30 C 0.9914(12) 0.1710(11) 0.5074(5) 0.139(6) Uani 1 1 d . . .
H30A H 1.0340 0.1945 0.4894 0.167 Uiso 1 1 calc R . .
C31 C 0.8084(8) 0.3310(6) 0.5710(3) 0.063(3) Uani 1 1 d . . .
C32 C 0.9423(13) 0.4277(12) 0.6056(6) 0.144(7) Uani 1 1 d . . .
H32A H 1.0088 0.4407 0.6236 0.172 Uiso 1 1 calc R . .
C33 C 0.7899(14) 0.4679(7) 0.5685(5) 0.113(5) Uani 1 1 d . . .
H33A H 0.7499 0.5090 0.5596 0.135 Uiso 1 1 calc R . .
C34 C 0.8892(16) 0.4837(9) 0.5922(5) 0.121(6) Uani 1 1 d . . .
H34A H 0.9191 0.5364 0.5988 0.145 Uiso 1 1 calc R . .
C35 C 0.7505(9) 0.3912(7) 0.5582(4) 0.084(3) Uani 1 1 d . . .
H35A H 0.6821 0.3790 0.5420 0.100 Uiso 1 1 calc R . .
C36 C 0.9048(10) 0.3471(8) 0.5944(4) 0.104(4) Uani 1 1 d . . .
H36A H 0.9462 0.3068 0.6031 0.124 Uiso 1 1 calc R . .
C37 C 0.7617(6) 0.3028(4) 1.0620(2) 0.0305(18) Uani 1 1 d . . .
C38 C 0.8557(6) 0.3481(5) 1.0672(3) 0.047(2) Uani 1 1 d . . .
H38A H 0.8673 0.3831 1.0453 0.056 Uiso 1 1 calc R . .
C39 C 0.9334(6) 0.3429(5) 1.1041(3) 0.057(3) Uani 1 1 d . . .
H39A H 0.9973 0.3746 1.1074 0.068 Uiso 1 1 calc R . .
C40 C 0.9168(8) 0.2918(6) 1.1354(3) 0.061(3) Uani 1 1 d . . .
H40A H 0.9690 0.2887 1.1609 0.074 Uiso 1 1 calc R . .
C41 C 0.8265(7) 0.2456(6) 1.1303(3) 0.058(3) Uani 1 1 d . . .
H41A H 0.8168 0.2096 1.1519 0.070 Uiso 1 1 calc R . .
C42 C 0.7471(6) 0.2499(5) 1.0936(3) 0.041(2) Uani 1 1 d . . .
H42A H 0.6841 0.2171 1.0904 0.049 Uiso 1 1 calc R . .
C43 C 0.5465(5) 0.2681(4) 1.0239(2) 0.0294(18) Uani 1 1 d . . .
C44 C 0.4225(6) 0.2616(5) 1.0706(3) 0.045(2) Uani 1 1 d . . .
H44A H 0.4021 0.2788 1.0966 0.054 Uiso 1 1 calc R . .
C45 C 0.3887(7) 0.1821(5) 1.0030(3) 0.055(3) Uani 1 1 d . . .
H45A H 0.3447 0.1448 0.9824 0.066 Uiso 1 1 calc R . .
C46 C 0.4812(6) 0.2131(5) 0.9948(3) 0.041(2) Uani 1 1 d . . .
H46A H 0.5007 0.1964 0.9685 0.049 Uiso 1 1 calc R . .
C47 C 0.3601(6) 0.2054(6) 1.0412(3) 0.053(3) Uani 1 1 d . . .
H47A H 0.2972 0.1828 1.0475 0.064 Uiso 1 1 calc R . .
C48 C 0.5144(6) 0.2924(5) 1.0617(3) 0.040(2) Uani 1 1 d . . .
H48A H 0.5572 0.3312 1.0818 0.048 Uiso 1 1 calc R . .
C49 C 0.6578(6) 0.4105(4) 1.0063(3) 0.038(2) Uani 1 1 d . . .
C50 C 0.6759(7) 0.4638(5) 1.0436(3) 0.061(3) Uani 1 1 d . . .
H50A H 0.6939 0.4458 1.0724 0.073 Uiso 1 1 calc R . .
C51 C 0.6674(7) 0.5422(5) 1.0378(3) 0.060(3) Uani 1 1 d . . .
H51A H 0.6840 0.5785 1.0628 0.072 Uiso 1 1 calc R . .
C52 C 0.6353(8) 0.5684(6) 0.9966(3) 0.069(3) Uani 1 1 d . . .
H52A H 0.6234 0.6213 0.9931 0.083 Uiso 1 1 calc R . .
C53 C 0.6215(12) 0.5201(6) 0.9626(4) 0.126(6) Uani 1 1 d . . .
H53A H 0.6050 0.5396 0.9341 0.151 Uiso 1 1 calc R . .
C54 C 0.6296(10) 0.4418(6) 0.9657(3) 0.094(4) Uani 1 1 d . . .
H54A H 0.6156 0.4084 0.9396 0.112 Uiso 1 1 calc R . .
C55 C 1.2814(6) 0.5155(5) 0.6992(3) 0.038(2) Uani 1 1 d . . .
C56 C 1.1908(7) 0.4683(6) 0.6980(3) 0.063(3) Uani 1 1 d . . .
H56A H 1.1278 0.4872 0.6860 0.076 Uiso 1 1 calc R . .
C57 C 1.1895(8) 0.3941(6) 0.7137(4) 0.072(3) Uani 1 1 d . . .
H57A H 1.1262 0.3622 0.7118 0.087 Uiso 1 1 calc R . .
C58 C 1.2778(8) 0.3674(6) 0.7317(3) 0.067(3) Uani 1 1 d . . .
H58A H 1.2767 0.3169 0.7431 0.081 Uiso 1 1 calc R . .
C59 C 1.3682(8) 0.4115(6) 0.7338(3) 0.069(3) Uani 1 1 d . . .
H59A H 1.4304 0.3915 0.7458 0.083 Uiso 1 1 calc R . .
C60 C 1.3703(7) 0.4863(6) 0.7182(3) 0.062(3) Uani 1 1 d . . .
H60A H 1.4341 0.5178 0.7208 0.074 Uiso 1 1 calc R . .
C61 C 1.2091(6) 0.5965(5) 0.6222(3) 0.042(2) Uani 1 1 d . . .
C62 C 1.2202(7) 0.5327(6) 0.5959(3) 0.058(3) Uani 1 1 d . . .
H62A H 1.2654 0.4961 0.6073 0.070 Uiso 1 1 calc R . .
C63 C 1.1644(8) 0.5229(7) 0.5529(4) 0.077(3) Uani 1 1 d . . .
H63A H 1.1702 0.4779 0.5354 0.093 Uiso 1 1 calc R . .
C64 C 1.1032(8) 0.5739(8) 0.5353(3) 0.071(3) Uani 1 1 d . . .
H64A H 1.0688 0.5667 0.5052 0.085 Uiso 1 1 calc R . .
C65 C 1.0900(7) 0.6366(7) 0.5606(4) 0.069(3) Uani 1 1 d . . .
H65A H 1.0437 0.6717 0.5482 0.083 Uiso 1 1 calc R . .
C66 C 1.1432(6) 0.6504(6) 0.6046(3) 0.053(2) Uani 1 1 d . . .
H66A H 1.1349 0.6948 0.6219 0.063 Uiso 1 1 calc R . .
C67 C 1.4092(6) 0.6493(5) 0.6801(3) 0.045(2) Uani 1 1 d . . .
C68 C 1.4619(7) 0.7011(6) 0.7131(3) 0.067(3) Uani 1 1 d . . .
H68A H 1.4279 0.7191 0.7349 0.080 Uiso 1 1 calc R . .
C69 C 1.5627(8) 0.7281(8) 0.7158(5) 0.101(4) Uani 1 1 d . . .
H69A H 1.5980 0.7641 0.7394 0.121 Uiso 1 1 calc R . .
C70 C 1.6121(8) 0.7037(8) 0.6851(5) 0.099(5) Uani 1 1 d . . .
H70A H 1.6813 0.7244 0.6865 0.119 Uiso 1 1 calc R . .
C71 C 1.5638(8) 0.6491(7) 0.6515(4) 0.074(3) Uani 1 1 d . . .
H71A H 1.5995 0.6307 0.6306 0.089 Uiso 1 1 calc R . .
C72 C 1.4615(7) 0.6217(6) 0.6492(3) 0.059(3) Uani 1 1 d . . .
H72A H 1.4269 0.5839 0.6265 0.070 Uiso 1 1 calc R . .
C73 C 0.5879(5) 0.0659(4) 0.9211(3) 0.0357(19) Uani 1 1 d . . .
C74 C 0.5094(6) 0.0972(5) 0.8913(3) 0.053(2) Uani 1 1 d . . .
H74A H 0.5240 0.1443 0.8775 0.063 Uiso 1 1 calc R . .
C75 C 0.4102(7) 0.0575(6) 0.8825(3) 0.061(3) Uani 1 1 d . . .
H75A H 0.3578 0.0776 0.8621 0.073 Uiso 1 1 calc R . .
C76 C 0.3873(7) -0.0082(7) 0.9022(4) 0.072(3) Uani 1 1 d . . .
H76A H 0.3196 -0.0346 0.8950 0.086 Uiso 1 1 calc R . .
C77 C 0.4605(8) -0.0379(6) 0.9326(4) 0.076(3) Uani 1 1 d . . .
H77A H 0.4437 -0.0834 0.9473 0.091 Uiso 1 1 calc R . .
C78 C 0.5597(7) 0.0002(5) 0.9414(3) 0.055(2) Uani 1 1 d . . .
H78A H 0.6105 -0.0203 0.9624 0.066 Uiso 1 1 calc R . .
C79 C 0.7746(6) 0.1105(4) 0.8889(3) 0.0339(19) Uani 1 1 d . . .
C80 C 0.8783(6) 0.1256(5) 0.8947(3) 0.047(2) Uani 1 1 d . . .
H80A H 0.9184 0.1369 0.9238 0.056 Uiso 1 1 calc R . .
C81 C 0.9277(7) 0.1247(5) 0.8586(3) 0.054(3) Uani 1 1 d . . .
H81A H 0.9999 0.1369 0.8633 0.065 Uiso 1 1 calc R . .
C82 C 0.8708(8) 0.1061(5) 0.8170(3) 0.058(3) Uani 1 1 d . . .
H82A H 0.9031 0.1049 0.7925 0.070 Uiso 1 1 calc R . .
C83 C 0.7674(9) 0.0892(6) 0.8110(3) 0.074(3) Uani 1 1 d . . .
H83A H 0.7281 0.0743 0.7822 0.089 Uiso 1 1 calc R . .
C84 C 0.7184(7) 0.0932(5) 0.8459(3) 0.056(3) Uani 1 1 d . . .
H84A H 0.6458 0.0841 0.8405 0.067 Uiso 1 1 calc R . .
C85 C 0.7863(5) 0.0673(4) 0.9785(3) 0.0345(19) Uani 1 1 d . . .
C86 C 0.8014(6) 0.0958(5) 1.0217(3) 0.047(2) Uani 1 1 d . . .
H86A H 0.7781 0.1440 1.0284 0.056 Uiso 1 1 calc R . .
C87 C 0.8509(7) 0.0538(6) 1.0555(3) 0.067(3) Uani 1 1 d . . .
H87A H 0.8614 0.0733 1.0853 0.081 Uiso 1 1 calc R . .
C88 C 0.8841(7) -0.0147(6) 1.0458(4) 0.066(3) Uani 1 1 d . . .
H88A H 0.9172 -0.0435 1.0690 0.079 Uiso 1 1 calc R . .
C89 C 0.8707(7) -0.0424(5) 1.0036(4) 0.056(3) Uani 1 1 d . . .
H89A H 0.8952 -0.0902 0.9972 0.068 Uiso 1 1 calc R . .
C90 C 0.8222(6) -0.0024(4) 0.9697(3) 0.043(2) Uani 1 1 d . . .
H90A H 0.8133 -0.0226 0.9401 0.052 Uiso 1 1 calc R . .
C93 C 1.2053(7) 0.8680(5) 0.6804(3) 0.052(2) Uani 1 1 d . . .
C94 C 1.1595(17) 0.9343(14) 0.6736(7) 0.065(6) Uiso 0.50 1 d P . .
H94A H 1.144(13) 0.958(10) 0.696(6) 0.078 Uiso 0.50 1 d P . .
C94A C 1.0999(17) 0.8915(13) 0.6633(7) 0.070(6) Uiso 0.50 1 d P . .
C95 C 1.1500(16) 0.9735(13) 0.6347(7) 0.069(6) Uiso 0.50 1 d P . .
C95A C 1.088(2) 0.9173(19) 0.6195(11) 0.124(10) Uiso 0.50 1 d P . .
C96 C 1.1818(12) 0.9387(9) 0.6009(4) 0.133(6) Uani 1 1 d . . .
H96A H 1.1747 0.9639 0.5721 0.159 Uiso 1 1 calc R . .
C97 C 1.2643(8) 0.8566(6) 0.6524(4) 0.080(3) Uani 1 1 d . . .
H97A H 1.3162 0.8231 0.6595 0.096 Uiso 1 1 calc R . .
C98 C 1.2515(9) 0.8936(6) 0.6116(3) 0.072(3) Uani 1 1 d . . .
H98A H 1.2954 0.8848 0.5920 0.086 Uiso 1 1 calc R . .
C99 C 1.1316(8) 0.8620(5) 0.7620(3) 0.051(2) Uani 1 1 d . . .
C100 C 1.1645(8) 0.9332(6) 0.7867(3) 0.067(3) Uani 1 1 d . . .
H10B H 1.2315 0.9593 0.7887 0.081 Uiso 1 1 calc R . .
C101 C 1.0921(13) 0.9655(7) 0.8092(4) 0.093(4) Uani 1 1 d . . .
H10D H 1.1120 1.0137 0.8263 0.111 Uiso 1 1 calc R . .
C102 C 0.9991(11) 0.9290(9) 0.8061(4) 0.094(5) Uani 1 1 d . . .
H10E H 0.9523 0.9518 0.8203 0.113 Uiso 1 1 calc R . .
C103 C 0.9699(9) 0.8593(7) 0.7829(3) 0.076(3) Uani 1 1 d . . .
H10F H 0.9036 0.8330 0.7823 0.091 Uiso 1 1 calc R . .
C104 C 1.0338(8) 0.8253(6) 0.7600(3) 0.072(3) Uani 1 1 d . . .
H10G H 1.0106 0.7772 0.7430 0.086 Uiso 1 1 calc R . .
C105 C 1.3394(7) 0.8557(5) 0.7639(3) 0.052(2) Uani 1 1 d . . .
C106 C 1.3996(9) 0.9192(6) 0.7545(3) 0.080(3) Uani 1 1 d . . .
H10H H 1.3768 0.9438 0.7279 0.096 Uiso 1 1 calc R . .
C107 C 1.4903(9) 0.9496(7) 0.7810(4) 0.096(4) Uani 1 1 d . . .
H10I H 1.5302 0.9935 0.7729 0.116 Uiso 1 1 calc R . .
C108 C 1.5234(8) 0.9137(7) 0.8210(4) 0.079(3) Uani 1 1 d . . .
H10J H 1.5850 0.9346 0.8408 0.095 Uiso 1 1 calc R . .
C109 C 1.4660(9) 0.8486(6) 0.8309(3) 0.071(3) Uani 1 1 d . . .
H10K H 1.4892 0.8231 0.8571 0.086 Uiso 1 1 calc R . .
C110 C 1.3725(7) 0.8192(5) 0.8022(3) 0.048(2) Uani 1 1 d . . .
H11B H 1.3326 0.7744 0.8093 0.058 Uiso 1 1 calc R . .
C111 C 1.0323(6) 0.4593(4) 0.8037(2) 0.0316(18) Uani 1 1 d . . .
C112 C 1.0121(6) 0.4369(4) 0.8437(3) 0.0347(19) Uani 1 1 d . . .
H11C H 1.0473 0.4648 0.8704 0.042 Uiso 1 1 calc R . .
C113 C 0.9401(5) 0.3733(4) 0.8443(2) 0.0275(17) Uani 1 1 d . . .
C114 C 0.8890(7) 0.3312(5) 0.8065(3) 0.054(2) Uani 1 1 d . . .
H11D H 0.8299 0.2910 0.8073 0.065 Uiso 1 1 calc R . .
C115 C 0.972(3) 0.4319(18) 0.7672(15) 0.033(8) Uani 0.50 1 d P . .
H11F H 0.979(12) 0.441(10) 0.743(5) 0.039 Uiso 0.50 1 d P . .
C116 C 0.987(3) 0.406(2) 0.7636(13) 0.043(10) Uani 0.50 1 d P . .
C117 C 0.9289(12) 0.3386(10) 0.7669(5) 0.031(4) Uiso 0.50 1 d P . .
C118 C 0.8952(12) 0.3693(10) 0.7668(5) 0.028(4) Uiso 0.50 1 d P . .
C119 C 0.9470(5) 0.2997(4) 0.9521(2) 0.0298(18) Uani 1 1 d . . .
C120 C 1.0020(6) 0.2694(5) 0.9898(3) 0.040(2) Uani 1 1 d . . .
H12B H 0.9697 0.2531 1.0130 0.048 Uiso 1 1 calc R . .
C121 C 1.1051(7) 0.2640(5) 0.9921(3) 0.055(3) Uani 1 1 d . . .
H12C H 1.1444 0.2451 1.0178 0.066 Uiso 1 1 calc R . .
C122 C 1.1522(6) 0.2857(5) 0.9574(3) 0.047(2) Uani 1 1 d . . .
H12D H 1.2222 0.2787 0.9596 0.056 Uiso 1 1 calc R . .
C123 C 1.1007(5) 0.3168(5) 0.9204(3) 0.042(2) Uani 1 1 d . . .
H12E H 1.1331 0.3327 0.8971 0.050 Uiso 1 1 calc R . .
C124 C 0.9988(5) 0.3234(4) 0.9191(2) 0.0302(18) Uani 1 1 d . . .
C125 C 0.8315(5) 0.3337(4) 0.8997(2) 0.0274(17) Uani 1 1 d . . .
C126 C 0.7271(6) 0.3441(5) 0.8760(2) 0.0348(19) Uani 1 1 d . . .
C127 C 0.5584(6) 0.3056(4) 0.8708(3) 0.0360(19) Uani 1 1 d . . .
H12F H 0.5057 0.2751 0.8811 0.043 Uiso 1 1 calc R . .
C128 C 0.5301(6) 0.3521(5) 0.8375(3) 0.042(2) Uiso 1 1 d . . .
H12G H 0.4601 0.3512 0.8235 0.050 Uiso 1 1 calc R . .
C130 C 0.6051(6) 0.4010(5) 0.8243(3) 0.048(2) Uiso 1 1 d . . .
H13A H 0.5872 0.4366 0.8020 0.057 Uiso 1 1 calc R . .
C131 C 0.7079(6) 0.3977(5) 0.8441(2) 0.041(2) Uani 1 1 d . . .
C132 C 0.9112(8) 0.0975(5) 0.6773(3) 0.065(3) Uani 1 1 d . . .
C133 C 0.5914(7) 0.3527(7) 0.6377(3) 0.071(3) Uani 1 1 d . . .
C134 C 0.5712(7) 0.4195(7) 0.6582(4) 0.078(4) Uani 1 1 d . . .
C135 C 1.0030(8) 0.0862(6) 0.7051(3) 0.070(3) Uani 1 1 d . . .
C136 C 1.068(2) 0.1297(14) 0.7406(8) 0.060(7) Uiso 0.50 1 d P . .
H13B H 1.096(14) 0.155(13) 0.756(6) 0.072 Uiso 0.50 1 d P . .
C137 C 0.6237(15) 0.4781(13) 0.6962(7) 0.055(5) Uiso 0.50 1 d P . .
C138 C 0.7061(13) 0.4474(10) 0.7241(6) 0.043(4) Uiso 0.50 1 d P . .
H13D H 0.739(11) 0.482(9) 0.749(5) 0.051 Uiso 0.50 1 d P . .
C139 C 1.0361(15) 0.2036(13) 0.7502(6) 0.045(5) Uiso 0.50 1 d P . .
H13E H 1.062(13) 0.220(10) 0.766(6) 0.054 Uiso 0.50 1 d P . .
C140 C 0.9651(7) 0.2223(5) 0.7300(3) 0.049(2) Uiso 1 1 d . . .
C141 C 0.7314(6) 0.3880(5) 0.7096(3) 0.053(2) Uiso 1 1 d . . .
C142 C 0.8875(14) 0.1742(12) 0.6915(7) 0.045(5) Uiso 0.50 1 d P . .
C143 C 0.6891(12) 0.3401(9) 0.6671(6) 0.030(4) Uiso 0.50 1 d P . .
C144 C 0.8919(12) 0.2164(10) 0.7025(5) 0.036(4) Uiso 0.50 1 d P . .
C145 C 0.7256(11) 0.3271(9) 0.6867(5) 0.032(4) Uiso 0.50 1 d P . .
C146 C 0.8148(6) 0.2771(4) 0.6979(3) 0.0363(19) Uiso 1 1 d . . .
C147 C 1.0379(15) 0.1569(15) 0.7337(7) 0.052(6) Uiso 0.50 1 d P . .
C148 C 0.6360(17) 0.4394(13) 0.6979(7) 0.062(6) Uiso 0.50 1 d P . .
C149 C 1.2654(6) 0.5862(4) 0.8053(2) 0.0341(18) Uiso 1 1 d . . .
C150 C 1.4227(6) 0.5503(5) 0.8436(3) 0.040(2) Uiso 1 1 d . . .
H15B H 1.4951 0.5594 0.8526 0.048 Uiso 1 1 calc R . .
C151 C 1.3708(6) 0.4850(5) 0.8580(3) 0.053(3) Uani 1 1 d . . .
H15C H 1.4092 0.4501 0.8756 0.063 Uiso 1 1 calc R . .
C152 C 1.3736(5) 0.6013(5) 0.8171(3) 0.038(2) Uani 1 1 d . . .
H15D H 1.4099 0.6450 0.8070 0.046 Uiso 1 1 calc R . .
C153 C 1.2156(5) 0.5217(4) 0.8213(2) 0.0279(17) Uani 1 1 d . . .
C154 C 1.2670(6) 0.4697(5) 0.8477(3) 0.043(2) Uani 1 1 d . . .
H15E H 1.2318 0.4257 0.8581 0.052 Uiso 1 1 calc R . .
C155 C 1.1061(5) 0.5828(4) 0.7752(2) 0.0266(17) Uani 1 1 d . . .
C156 C 1.0160(6) 0.6045(5) 0.7437(3) 0.039(2) Uani 1 1 d . . .
C157 C 0.9201(6) 0.5928(6) 0.7506(3) 0.061(3) Uani 1 1 d . . .
H15F H 0.9071 0.5705 0.7768 0.073 Uiso 1 1 calc R . .
C158 C 0.8386(7) 0.6143(7) 0.7180(3) 0.084(4) Uani 1 1 d . . .
H15G H 0.7698 0.6063 0.7216 0.101 Uiso 1 1 calc R . .
C159 C 0.8628(6) 0.6474(6) 0.6807(3) 0.059(3) Uani 1 1 d . . .
H15H H 0.8107 0.6607 0.6575 0.071 Uiso 1 1 calc R . .
C160 C 0.9640(6) 0.6603(5) 0.6784(3) 0.047(2) Uani 1 1 d . . .
H16B H 0.9807 0.6849 0.6534 0.056 Uiso 1 1 calc R . .
C161 C 0.1895(14) 0.2951(10) 0.5863(7) 0.194(9) Uani 1 1 d . . .
H16C H 0.1753 0.2704 0.5560 0.232 Uiso 1 1 calc R . .
H16D H 0.1494 0.3399 0.5864 0.232 Uiso 1 1 calc R . .
C162 C 0.4307(14) 0.4288(12) 0.5015(7) 0.164(7) Uiso 1 1 d . . .
C163 C 0.5688(14) 0.5033(14) 0.4714(6) 0.162(7) Uiso 1 1 d . . .
C164 C 0.5054(14) 0.4381(11) 0.4756(6) 0.151(6) Uiso 1 1 d . . .
H16E H 0.5124 0.3927 0.4588 0.181 Uiso 1 1 calc R . .
C165 C 0.1649(9) 0.2062(10) 0.1260(5) 0.134(6) Uani 1 1 d . . .
H16F H 0.1357 0.2348 0.1478 0.161 Uiso 1 1 calc R . .
H16G H 0.2035 0.2452 0.1110 0.161 Uiso 1 1 calc R . .
C166 C 1.1112(12) 0.4786(10) 1.0137(5) 0.046(4) Uiso 0.50 1 d P . .
B1 B 0.1811(15) 0.2697(13) 0.4376(7) 0.120(7) Uani 1 1 d . . .
B2 B 0.2452(13) 0.2359(10) 0.8445(5) 0.085(4) Uani 1 1 d . . .
B3 B 0.2736(18) 0.3904(11) 0.1817(8) 0.125(8) Uani 1 1 d . . .
F1 F 0.2043(6) 0.2087(5) 0.4602(3) 0.153(4) Uani 1 1 d . . .
F2 F 0.0923(7) 0.2549(7) 0.4102(3) 0.184(5) Uani 1 1 d . . .
F3 F 0.2581(6) 0.2907(6) 0.4161(3) 0.149(3) Uani 1 1 d . . .
F4 F 0.1685(8) 0.3279(6) 0.4671(4) 0.212(5) Uani 1 1 d . . .
F5 F 0.1948(5) 0.1695(4) 0.8579(2) 0.102(2) Uani 1 1 d . . .
F6 F 0.3099(6) 0.2752(5) 0.8815(3) 0.133(3) Uani 1 1 d . . .
F7 F 0.2988(6) 0.2147(5) 0.8156(3) 0.148(3) Uani 1 1 d . . .
F8 F 0.1733(6) 0.2828(4) 0.8267(3) 0.120(3) Uani 1 1 d . . .
F9 F 0.3178(6) 0.3738(5) 0.1489(3) 0.144(3) Uani 1 1 d . . .
F10 F 0.2328(7) 0.3237(5) 0.2000(3) 0.146(3) Uani 1 1 d . . .
F11 F 0.1703(11) 0.4287(8) 0.1586(5) 0.081(4) Uiso 0.50 1 d P . .
F11A F 0.2960(13) 0.4508(10) 0.2148(5) 0.119(5) Uiso 0.50 1 d P . .
F12A F 0.3593(11) 0.4257(9) 0.2143(5) 0.095(4) Uiso 0.50 1 d P . .
F12 F 0.2148(16) 0.4274(12) 0.1740(7) 0.125(7) Uiso 0.50 1 d P . .
Cl1 Cl 0.2481(4) 0.1448(5) 0.1534(2) 0.266(4) Uani 1 1 d . . .
Cl2 Cl 0.0736(4) 0.1582(3) 0.09011(13) 0.1394(15) Uani 1 1 d . . .
Cl3 Cl 0.1554(6) 0.2223(4) 0.6262(3) 0.254(3) Uani 1 1 d . . .
Cl4 Cl 0.3098(4) 0.3234(3) 0.6031(3) 0.276(4) Uani 1 1 d . . .
Cl5 Cl 1.0090(7) 0.4997(6) 1.0119(2) 0.111(2) Uiso 0.50 1 d P . .
Cl6 Cl 1.1361(6) 0.4584(5) 1.0705(3) 0.134(3) Uiso 0.50 1 d P . .
H13F H 0.533(6) 0.443(5) 0.645(3) 0.050 Uiso 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'
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'
P P 0.1023 0.0942 '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'
Cl Cl 0.1484 0.1585 '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
N1 Cu1 N2 79.4(2) . . ?
N1 Cu1 P3 112.46(17) . . ?
N2 Cu1 P3 114.34(16) . . ?
N1 Cu1 P5 105.14(17) . . ?
N2 Cu1 P5 105.69(17) . . ?
P3 Cu1 P5 128.68(8) . . ?
N4 Cu2 N5 80.2(2) . . ?
N4 Cu2 P6 116.85(19) . . ?
N5 Cu2 P6 110.94(18) . . ?
N4 Cu2 P4 102.99(18) . . ?
N5 Cu2 P4 108.55(18) . . ?
P6 Cu2 P4 127.28(9) . . ?
N7A Cu3 N7 46.6(5) . . ?
N7A Cu3 P1 119.1(4) . . ?
N7 Cu3 P1 110.0(4) . . ?
N7A Cu3 P2 103.5(4) . . ?
N7 Cu3 P2 113.7(4) . . ?
P1 Cu3 P2 132.93(10) . . ?
N7A Cu3 N9A 31.5(4) . . ?
N7 Cu3 N9A 76.7(5) . . ?
P1 Cu3 N9A 104.5(3) . . ?
P2 Cu3 N9A 101.7(3) . . ?
N7A Cu3 N9 74.6(5) . . ?
N7 Cu3 N9 28.6(5) . . ?
P1 Cu3 N9 104.0(4) . . ?
P2 Cu3 N9 105.8(3) . . ?
N9A Cu3 N9 105.3(5) . . ?
C7 P1 C1 108.4(4) . . ?
C7 P1 C13 106.1(4) . . ?
C1 P1 C13 103.7(5) . . ?
C7 P1 Cu3 106.6(3) . . ?
C1 P1 Cu3 117.3(3) . . ?
C13 P1 Cu3 114.0(3) . . ?
C19 P2 C25 105.9(4) . . ?
C19 P2 C31 103.7(4) . . ?
C25 P2 C31 103.3(5) . . ?
C19 P2 Cu3 117.6(3) . . ?
C25 P2 Cu3 116.0(4) . . ?
C31 P2 Cu3 108.7(3) . . ?
C43 P3 C49 104.2(3) . . ?
C43 P3 C37 104.0(3) . . ?
C49 P3 C37 103.2(3) . . ?
C43 P3 Cu1 117.6(3) . . ?
C49 P3 Cu1 113.8(3) . . ?
C37 P3 Cu1 112.5(2) . . ?
C67 P4 C55 104.4(4) . . ?
C67 P4 C61 107.1(4) . . ?
C55 P4 C61 102.8(4) . . ?
C67 P4 Cu2 116.5(3) . . ?
C55 P4 Cu2 111.2(2) . . ?
C61 P4 Cu2 113.6(3) . . ?
C73 P5 C85 104.7(4) . . ?
C73 P5 C79 106.6(4) . . ?
C85 P5 C79 103.9(3) . . ?
C73 P5 Cu1 114.1(2) . . ?
C85 P5 Cu1 117.1(3) . . ?
C79 P5 Cu1 109.5(3) . . ?
C105 P6 C93 104.4(4) . . ?
C105 P6 C99 100.6(4) . . ?
C93 P6 C99 104.6(4) . . ?
C105 P6 Cu2 113.0(3) . . ?
C93 P6 Cu2 114.0(3) . . ?
C99 P6 Cu2 118.5(3) . . ?
C125 N1 C119 106.2(6) . . ?
C125 N1 Cu1 111.9(5) . . ?
C119 N1 Cu1 137.3(5) . . ?
C127 N2 C126 116.5(6) . . ?
C127 N2 Cu1 128.7(5) . . ?
C126 N2 Cu1 112.8(4) . . ?
C125 N3 C124 106.6(6) . . ?
C125 N3 C113 128.4(6) . . ?
C124 N3 C113 124.4(6) . . ?
C155 N4 C149 105.8(6) . . ?
C155 N4 Cu2 111.4(5) . . ?
C149 N4 Cu2 136.9(5) . . ?
C160 N5 C156 118.1(7) . . ?
C160 N5 Cu2 127.6(6) . . ?
C156 N5 Cu2 111.7(5) . . ?
C155 N6 C153 105.9(6) . . ?
C155 N6 C111 128.3(6) . . ?
C153 N6 C111 124.3(6) . . ?
N9 N7 C144 65.5(11) . . ?
N9 N7 C146 137.1(13) . . ?
C144 N7 C146 71.7(11) . . ?
N9 N7 C142 31.7(10) . . ?
C144 N7 C142 34.3(10) . . ?
C146 N7 C142 106.0(14) . . ?
N9 N7 N7A 161.3(14) . . ?
C144 N7 N7A 123.3(13) . . ?
C146 N7 N7A 53.7(7) . . ?
C142 N7 N7A 156.3(15) . . ?
N9 N7 Cu3 100.2(11) . . ?
C144 N7 Cu3 161.1(12) . . ?
C146 N7 Cu3 120.5(8) . . ?
C142 N7 Cu3 131.7(14) . . ?
N7A N7 Cu3 66.9(6) . . ?
C145 N7A N9A 68.0(11) . . ?
C145 N7A C146 76.6(11) . . ?
N9A N7A C146 143.2(13) . . ?
C145 N7A C143 33.7(9) . . ?
N9A N7A C143 38.7(8) . . ?
C146 N7A C143 109.4(12) . . ?
C145 N7A N7 128.0(14) . . ?
N9A N7A N7 149.2(14) . . ?
C146 N7A N7 54.8(7) . . ?
C143 N7A N7 161.2(13) . . ?
C145 N7A Cu3 154.4(12) . . ?
N9A N7A Cu3 89.9(10) . . ?
C146 N7A Cu3 121.3(8) . . ?
C143 N7A Cu3 128.1(11) . . ?
N7 N7A Cu3 66.5(7) . . ?
C146 N8 C117 132.7(11) . . ?
C146 N8 C144 67.7(9) . . ?
C117 N8 C144 159.4(12) . . ?
C146 N8 N8A 57.8(7) . . ?
C117 N8 N8A 75.0(9) . . ?
C144 N8 N8A 125.5(11) . . ?
C146 N8 C140 113.8(9) . . ?
C117 N8 C140 113.5(10) . . ?
C144 N8 C140 46.2(7) . . ?
N8A N8 C140 171.4(10) . . ?
C146 N8 C118 110.6(8) . . ?
C117 N8 C118 22.1(7) . . ?
C144 N8 C118 177.1(12) . . ?
N8A N8 C118 52.8(7) . . ?
C140 N8 C118 135.6(9) . . ?
C146 N8A C118 129.1(10) . . ?
C146 N8A N8 55.0(6) . . ?
C118 N8A N8 74.2(9) . . ?
C146 N8A C141 111.2(9) . . ?
C118 N8A C141 119.5(10) . . ?
N8 N8A C141 166.2(11) . . ?
C146 N8A C145 63.6(8) . . ?
C118 N8A C145 165.9(11) . . ?
N8 N8A C145 118.6(10) . . ?
C141 N8A C145 47.7(7) . . ?
C146 N8A C117 104.7(9) . . ?
C118 N8A C117 24.4(7) . . ?
N8 N8A C117 49.8(7) . . ?
C141 N8A C117 143.9(10) . . ?
C145 N8A C117 167.2(11) . . ?
C143 N9A N7A 80.9(16) . . ?
C143 N9A C145 32.5(13) . . ?
N7A N9A C145 54.9(9) . . ?
C143 N9A C133 79.8(16) . . ?
N7A N9A C133 157.3(15) . . ?
C145 N9A C133 110.1(13) . . ?
C143 N9A Cu3 138.8(16) . . ?
N7A N9A Cu3 58.6(8) . . ?
C145 N9A Cu3 112.4(10) . . ?
C133 N9A Cu3 137.0(9) . . ?
C142 N9 N7 86(2) . . ?
C142 N9 C132 86(2) . . ?
N7 N9 C132 168.7(16) . . ?
C142 N9 C144 26.1(19) . . ?
N7 N9 C144 60.8(10) . . ?
C132 N9 C144 112.1(14) . . ?
C142 N9 Cu3 137(2) . . ?
N7 N9 Cu3 51.2(9) . . ?
C132 N9 Cu3 137.0(11) . . ?
C144 N9 Cu3 110.9(10) . . ?
C2 C1 C6 118.6(9) . . ?
C2 C1 P1 118.1(7) . . ?
C6 C1 P1 123.2(7) . . ?
C1 C2 C3 122.4(9) . . ?
C4 C3 C2 118.9(10) . . ?
C5 C4 C3 119.8(10) . . ?
C4 C5 C6 121.5(9) . . ?
C5 C6 C1 118.7(9) . . ?
C8 C7 C11 119.3(10) . . ?
C8 C7 P1 121.0(8) . . ?
C11 C7 P1 119.3(8) . . ?
C7 C8 C9 118.5(11) . . ?
C10 C9 C8 120.3(13) . . ?
C9 C10 C12 121.2(13) . . ?
C12 C11 C7 121.4(11) . . ?
C11 C12 C10 119.2(12) . . ?
C15 C13 C18 117.0(9) . . ?
C15 C13 P1 120.3(8) . . ?
C18 C13 P1 122.5(8) . . ?
C15 C14 C16 116.8(11) . . ?
C13 C15 C14 125.6(11) . . ?
C14 C16 C17 122.2(11) . . ?
C16 C17 C18 118.1(12) . . ?
C13 C18 C17 120.3(11) . . ?
C20 C19 C24 118.4(9) . . ?
C20 C19 P2 119.7(7) . . ?
C24 C19 P2 121.8(8) . . ?
C19 C20 C21 121.9(10) . . ?
C22 C21 C20 118.8(11) . . ?
C21 C22 C23 120.4(11) . . ?
C22 C23 C24 121.7(11) . . ?
C19 C24 C23 118.6(10) . . ?
C26 C25 C29 117.6(11) . . ?
C26 C25 P2 118.2(9) . . ?
C29 C25 P2 124.2(10) . . ?
C25 C26 C27 121.0(13) . . ?
C28 C27 C26 119.2(14) . . ?
C27 C28 C30 120.3(14) . . ?
C25 C29 C30 122.8(14) . . ?
C28 C30 C29 119.0(16) . . ?
C36 C31 C35 120.1(11) . . ?
C36 C31 P2 119.0(10) . . ?
C35 C31 P2 120.7(8) . . ?
C34 C32 C36 122.5(16) . . ?
C35 C33 C34 117.9(15) . . ?
C32 C34 C33 121.0(16) . . ?
C33 C35 C31 121.4(13) . . ?
C31 C36 C32 117.0(14) . . ?
C42 C37 C38 118.8(7) . . ?
C42 C37 P3 122.4(6) . . ?
C38 C37 P3 118.4(6) . . ?
C37 C38 C39 121.0(9) . . ?
C40 C39 C38 119.4(9) . . ?
C41 C40 C39 120.3(8) . . ?
C40 C41 C42 121.4(9) . . ?
C37 C42 C41 119.1(8) . . ?
C46 C43 C48 117.6(7) . . ?
C46 C43 P3 118.9(6) . . ?
C48 C43 P3 123.5(6) . . ?
C48 C44 C47 119.2(8) . . ?
C47 C45 C46 119.8(8) . . ?
C45 C46 C43 121.5(8) . . ?
C45 C47 C44 120.2(8) . . ?
C44 C48 C43 121.7(8) . . ?
C54 C49 C50 116.0(8) . . ?
C54 C49 P3 121.0(6) . . ?
C50 C49 P3 123.0(6) . . ?
C51 C50 C49 119.7(8) . . ?
C52 C51 C50 120.9(9) . . ?
C53 C52 C51 119.0(9) . . ?
C52 C53 C54 123.1(10) . . ?
C53 C54 C49 121.1(9) . . ?
C60 C55 C56 116.8(8) . . ?
C60 C55 P4 123.9(7) . . ?
C56 C55 P4 119.2(6) . . ?
C55 C56 C57 121.7(9) . . ?
C58 C57 C56 119.8(10) . . ?
C57 C58 C59 120.6(10) . . ?
C58 C59 C60 120.0(9) . . ?
C55 C60 C59 121.1(10) . . ?
C62 C61 C66 119.7(8) . . ?
C62 C61 P4 122.7(6) . . ?
C66 C61 P4 117.6(7) . . ?
C61 C62 C63 118.9(9) . . ?
C64 C63 C62 122.4(11) . . ?
C63 C64 C65 119.7(10) . . ?
C64 C65 C66 121.4(10) . . ?
C65 C66 C61 117.8(9) . . ?
C68 C67 C72 118.3(9) . . ?
C68 C67 P4 118.5(7) . . ?
C72 C67 P4 123.1(7) . . ?
C67 C68 C69 121.5(10) . . ?
C70 C69 C68 120.1(12) . . ?
C69 C70 C71 121.1(12) . . ?
C70 C71 C72 118.4(10) . . ?
C67 C72 C71 120.5(10) . . ?
C78 C73 C74 117.1(8) . . ?
C78 C73 P5 123.6(6) . . ?
C74 C73 P5 118.7(6) . . ?
C75 C74 C73 118.9(9) . . ?
C76 C75 C74 121.5(9) . . ?
C75 C76 C77 120.8(10) . . ?
C76 C77 C78 118.4(10) . . ?
C73 C78 C77 123.1(9) . . ?
C80 C79 C84 117.7(8) . . ?
C80 C79 P5 119.6(6) . . ?
C84 C79 P5 122.6(6) . . ?
C79 C80 C81 121.5(8) . . ?
C82 C81 C80 119.5(9) . . ?
C83 C82 C81 119.3(9) . . ?
C82 C83 C84 121.5(9) . . ?
C83 C84 C79 120.5(9) . . ?
C86 C85 C90 118.7(7) . . ?
C86 C85 P5 117.6(6) . . ?
C90 C85 P5 123.6(6) . . ?
C85 C86 C87 119.8(8) . . ?
C88 C87 C86 120.0(9) . . ?
C89 C88 C87 120.5(9) . . ?
C88 C89 C90 120.7(8) . . ?
C89 C90 C85 120.2(8) . . ?
C97 C93 C94 112.6(13) . . ?
C97 C93 C94A 119.1(11) . . ?
C94 C93 C94A 41.1(11) . . ?
C97 C93 P6 121.4(7) . . ?
C94 C93 P6 123.6(11) . . ?
C94A C93 P6 113.7(10) . . ?
C94A C94 C93 78(2) . . ?
C94A C94 C95 98(2) . . ?
C93 C94 C95 124.1(19) . . ?
C94A C94 C95A 54.4(19) . . ?
C93 C94 C95A 102.8(18) . . ?
C95 C94 C95A 43.8(14) . . ?
C94 C94A C95A 90(3) . . ?
C94 C94A C93 61.3(17) . . ?
C95A C94A C93 113(2) . . ?
C94 C94A C95 48.9(18) . . ?
C95A C94A C95 41.7(15) . . ?
C93 C94A C95 92.8(14) . . ?
C95A C95 C96 72(2) . . ?
C95A C95 C94 84(2) . . ?
C96 C95 C94 116.5(18) . . ?
C95A C95 C94A 51.0(18) . . ?
C96 C95 C94A 104.1(16) . . ?
C94 C95 C94A 33.4(12) . . ?
C95 C95A C94A 87(2) . . ?
C95 C95A C96 58.3(18) . . ?
C94A C95A C96 119(2) . . ?
C95 C95A C94 52.2(18) . . ?
C94A C95A C94 35.5(13) . . ?
C96 C95A C94 91.1(19) . . ?
C98 C96 C95 116.2(14) . . ?
C98 C96 C95A 113.9(16) . . ?
C95 C96 C95A 50.0(13) . . ?
C93 C97 C98 120.9(10) . . ?
C96 C98 C97 121.2(11) . . ?
C104 C99 C100 119.8(9) . . ?
C104 C99 P6 119.2(7) . . ?
C100 C99 P6 121.0(9) . . ?
C99 C100 C101 117.4(11) . . ?
C102 C101 C100 120.9(12) . . ?
C101 C102 C103 120.6(12) . . ?
C102 C103 C104 121.9(13) . . ?
C99 C104 C103 119.3(11) . . ?
C106 C105 C110 118.4(9) . . ?
C106 C105 P6 125.4(7) . . ?
C110 C105 P6 116.1(7) . . ?
C107 C106 C105 123.9(10) . . ?
C106 C107 C108 117.9(10) . . ?
C109 C108 C107 119.6(9) . . ?
C108 C109 C110 120.2(9) . . ?
C105 C110 C109 119.9(9) . . ?
C115 C111 C112 120.3(19) . . ?
C115 C111 N6 118.3(19) . . ?
C112 C111 N6 120.7(7) . . ?
C115 C111 C116 20(2) . . ?
C112 C111 C116 117.8(19) . . ?
N6 C111 C116 120.3(19) . . ?
C113 C112 C111 119.3(7) . . ?
C114 C113 C112 121.9(7) . . ?
C114 C113 N3 119.5(7) . . ?
C112 C113 N3 118.6(7) . . ?
C113 C114 C118 114.5(10) . . ?
C113 C114 C117 119.2(10) . . ?
C118 C114 C117 29.6(7) . . ?
C116 C115 C111 103(10) . . ?
C116 C115 C118 73(9) . . ?
C111 C115 C118 121(3) . . ?
C116 C115 C117 47(8) . . ?
C111 C115 C117 114(3) . . ?
C118 C115 C117 26.3(8) . . ?
C115 C116 C118 86(9) . . ?
C115 C116 C117 116(10) . . ?
C118 C116 C117 31.6(12) . . ?
C115 C116 C111 57(8) . . ?
C118 C116 C111 111(3) . . ?
C117 C116 C111 120(3) . . ?
C118 C117 C116 74(2) . . ?
C118 C117 N8 112(2) . . ?
C116 C117 N8 121(2) . . ?
C118 C117 C114 74.3(19) . . ?
C116 C117 C114 116.5(19) . . ?
N8 C117 C114 121.8(14) . . ?
C118 C117 C115 58(2) . . ?
C116 C117 C115 16(2) . . ?
N8 C117 C115 128.3(19) . . ?
C114 C117 C115 105.0(17) . . ?
C118 C117 N8A 57.2(17) . . ?
C116 C117 N8A 102(2) . . ?
N8 C117 N8A 55.3(8) . . ?
C114 C117 N8A 104.4(10) . . ?
C115 C117 N8A 94.9(18) . . ?
C117 C118 C116 75(2) . . ?
C117 C118 C115 96(3) . . ?
C116 C118 C115 22(2) . . ?
C117 C118 C114 76.1(19) . . ?
C116 C118 C114 118(2) . . ?
C115 C118 C114 120(2) . . ?
C117 C118 N8A 98(2) . . ?
C116 C118 N8A 118(2) . . ?
C115 C118 N8A 120(2) . . ?
C114 C118 N8A 120.3(13) . . ?
C117 C118 N8 45.5(17) . . ?
C116 C118 N8 97.3(16) . . ?
C115 C118 N8 116.5(18) . . ?
C114 C118 N8 99.3(11) . . ?
N8A C118 N8 53.0(7) . . ?
N1 C119 C124 111.2(6) . . ?
N1 C119 C120 130.1(7) . . ?
C124 C119 C120 118.5(6) . . ?
C121 C120 C119 117.9(7) . . ?
C120 C121 C122 121.3(8) . . ?
C123 C122 C121 122.1(7) . . ?
C122 C123 C124 115.8(8) . . ?
C123 C124 N3 130.9(7) . . ?
C123 C124 C119 124.4(7) . . ?
N3 C124 C119 104.6(6) . . ?
N1 C125 N3 111.2(6) . . ?
N1 C125 C126 119.7(7) . . ?
N3 C125 C126 129.0(7) . . ?
N2 C126 C131 124.2(7) . . ?
N2 C126 C125 112.8(7) . . ?
C131 C126 C125 122.9(7) . . ?
N2 C127 C128 124.8(8) . . ?
C127 C128 C130 118.5(8) . . ?
C128 C130 C131 119.1(8) . . ?
C126 C131 C130 116.7(8) . . ?
N9 C132 C135 134.4(11) . . ?
N9 C132 C142 28.9(8) . . ?
C135 C132 C142 105.7(11) . . ?
N9A C133 C134 133.0(10) . . ?
N9A C133 C143 35.0(7) . . ?
C134 C133 C143 100.1(10) . . ?
C148 C134 C133 113.1(12) . . ?
C148 C134 C137 27.6(10) . . ?
C133 C134 C137 138.2(11) . . ?
C136 C135 C132 134.2(14) . . ?
C136 C135 C147 27.0(11) . . ?
C132 C135 C147 107.5(12) . . ?
C147 C136 C135 82(4) . . ?
C147 C136 C139 33(3) . . ?
C135 C136 C139 114(2) . . ?
C148 C137 C138 49(3) . . ?
C148 C137 C134 63(3) . . ?
C138 C137 C134 111.1(16) . . ?
C148 C138 C141 89.1(18) . . ?
C148 C138 C137 29.1(14) . . ?
C141 C138 C137 115.4(18) . . ?
C147 C139 C140 99(2) . . ?
C147 C139 C136 22.7(18) . . ?
C140 C139 C136 121(2) . . ?
C139 C140 C144 156.3(17) . . ?
C139 C140 N8 139.4(14) . . ?
C144 C140 N8 63.9(10) . . ?
C139 C140 C142 127.3(15) . . ?
C144 C140 C142 29.0(10) . . ?
N8 C140 C142 92.4(10) . . ?
C139 C140 C147 36.6(12) . . ?
C144 C140 C147 119.8(14) . . ?
N8 C140 C147 174.8(11) . . ?
C142 C140 C147 91.0(12) . . ?
C138 C141 C145 159.2(14) . . ?
C138 C141 N8A 132.6(12) . . ?
C145 C141 N8A 67.8(9) . . ?
C138 C141 C143 130.8(12) . . ?
C145 C141 C143 30.2(8) . . ?
N8A C141 C143 96.2(9) . . ?
C138 C141 C148 42.7(10) . . ?
C145 C141 C148 116.7(13) . . ?
N8A C141 C148 174.6(11) . . ?
C143 C141 C148 88.8(11) . . ?
N9 C142 C144 130(3) . . ?
N9 C142 N7 62.6(19) . . ?
C144 C142 N7 69.5(19) . . ?
N9 C142 C132 65(2) . . ?
C144 C142 C132 163(3) . . ?
N7 C142 C132 126.9(18) . . ?
N9 C142 C140 172(3) . . ?
C144 C142 C140 45.7(18) . . ?
N7 C142 C140 114.9(17) . . ?
C132 C142 C140 118.2(13) . . ?
C145 C143 N9A 110(3) . . ?
C145 C143 N7A 59.0(17) . . ?
N9A C143 N7A 60.4(13) . . ?
C145 C143 C133 159(2) . . ?
N9A C143 C133 65.2(14) . . ?
N7A C143 C133 124.4(15) . . ?
C145 C143 C141 55.0(18) . . ?
N9A C143 C141 157(2) . . ?
N7A C143 C141 112.5(13) . . ?
C133 C143 C141 122.2(11) . . ?
C142 C144 C140 105(2) . . ?
C142 C144 N7 76(2) . . ?
C140 C144 N7 173.3(17) . . ?
C142 C144 N9 23.5(18) . . ?
C140 C144 N9 128.5(16) . . ?
N7 C144 N9 53.7(9) . . ?
C142 C144 N8 168(3) . . ?
C140 C144 N8 69.9(11) . . ?
N7 C144 N8 107.3(13) . . ?
N9 C144 N8 160.5(14) . . ?
C142 C144 C146 131(2) . . ?
C140 C144 C146 122.6(15) . . ?
N7 C144 C146 55.1(9) . . ?
N9 C144 C146 108.7(12) . . ?
N8 C144 C146 52.8(8) . . ?
C143 C145 N7A 87(2) . . ?
C143 C145 C141 95(2) . . ?
N7A C145 C141 164.8(17) . . ?
C143 C145 N9A 37.8(16) . . ?
N7A C145 N9A 57.1(10) . . ?
C141 C145 N9A 130.1(15) . . ?
C143 C145 N8A 151(2) . . ?
N7A C145 N8A 107.7(13) . . ?
C141 C145 N8A 64.5(9) . . ?
N9A C145 N8A 164.7(14) . . ?
C143 C145 C146 141(2) . . ?
N7A C145 C146 55.9(9) . . ?
C141 C145 C146 117.3(13) . . ?
N9A C145 C146 112.3(12) . . ?
N8A C145 C146 52.8(7) . . ?
N7A C146 N8 172.5(11) . . ?
N7A C146 N7 71.6(8) . . ?
N8 C146 N7 112.1(9) . . ?
N7A C146 N8A 110.0(8) . . ?
N8 C146 N8A 67.1(7) . . ?
N7 C146 N8A 172.9(11) . . ?
N7A C146 C144 122.7(10) . . ?
N8 C146 C144 59.6(8) . . ?
N7 C146 C144 53.2(8) . . ?
N8A C146 C144 126.7(9) . . ?
N7A C146 C145 47.5(8) . . ?
N8 C146 C145 130.7(9) . . ?
N7 C146 C145 116.4(9) . . ?
N8A C146 C145 63.6(8) . . ?
C144 C146 C145 169.6(11) . . ?
C136 C147 C139 124(4) . . ?
C136 C147 C135 71(3) . . ?
C139 C147 C135 160(2) . . ?
C136 C147 C140 165(4) . . ?
C139 C147 C140 44.8(16) . . ?
C135 C147 C140 117.3(14) . . ?
C137 C148 C138 101(3) . . ?
C137 C148 C134 89(3) . . ?
C138 C148 C134 161(2) . . ?
C137 C148 C141 143(3) . . ?
C138 C148 C141 48.3(13) . . ?
C134 C148 C141 115.1(16) . . ?
N4 C149 C153 110.4(6) . . ?
N4 C149 C152 129.9(7) . . ?
C153 C149 C152 119.5(7) . . ?
C152 C150 C151 122.5(8) . . ?
C154 C151 C150 122.1(8) . . ?
C150 C152 C149 116.7(8) . . ?
C154 C153 C149 123.0(7) . . ?
C154 C153 N6 131.9(7) . . ?
C149 C153 N6 104.9(6) . . ?
C151 C154 C153 116.2(8) . . ?
N4 C155 N6 112.9(6) . . ?
N4 C155 C156 118.7(7) . . ?
N6 C155 C156 128.3(7) . . ?
N5 C156 C157 123.2(7) . . ?
N5 C156 C155 113.6(7) . . ?
C157 C156 C155 123.1(7) . . ?
C156 C157 C158 118.8(8) . . ?
C159 C158 C157 117.8(8) . . ?
C160 C159 C158 118.1(8) . . ?
N5 C160 C159 123.7(8) . . ?
Cl4 C161 Cl3 105.8(10) . . ?
C164 C162 C163 112.3(18) . 2_666 ?
C164 C163 C162 118.7(18) . 2_666 ?
C163 C164 C162 128.8(18) . . ?
Cl2 C165 Cl1 111.6(10) . . ?
Cl5 C166 Cl5 24.5(6) . 2_767 ?
Cl5 C166 Cl6 96.1(10) . . ?
Cl5 C166 Cl6 120.0(10) 2_767 . ?
F2 B1 F1 111(2) . . ?
F2 B1 F3 111.8(15) . . ?
F1 B1 F3 108.1(11) . . ?
F2 B1 F4 105.1(12) . . ?
F1 B1 F4 107.4(15) . . ?
F3 B1 F4 113.0(19) . . ?
F7 B2 F8 112.0(13) . . ?
F7 B2 F5 108.9(12) . . ?
F8 B2 F5 108.1(13) . . ?
F7 B2 F6 110.3(14) . . ?
F8 B2 F6 109.2(11) . . ?
F5 B2 F6 108.3(12) . . ?
F12 B3 F9 115(2) . . ?
F12 B3 F11A 73.7(17) . . ?
F9 B3 F11A 132.1(19) . . ?
F12 B3 F10 108(2) . . ?
F9 B3 F10 113.4(15) . . ?
F11A B3 F10 107.1(17) . . ?
F12 B3 F12A 113(2) . . ?
F9 B3 F12A 101.4(17) . . ?
F11A B3 F12A 41.4(11) . . ?
F10 B3 F12A 106.3(17) . . ?
F12 B3 F11 16.1(16) . . ?
F9 B3 F11 104.9(16) . . ?
F11A B3 F11 89.7(14) . . ?
F10 B3 F11 102.5(15) . . ?
F12A B3 F11 128.6(16) . . ?
F12 F11 B3 25(2) . . ?
F12A F11A B3 71.0(16) . . ?
F12A F11A F12 111.7(19) . . ?
B3 F11A F12 42.9(10) . . ?
F11A F12A B3 67.6(15) . . ?
F11 F12 B3 139(4) . . ?
F11 F12 F11A 158(3) . . ?
B3 F12 F11A 63.4(18) . . ?
Cl5 Cl5 C166 100.2(17) 2_767 . ?
Cl5 Cl5 C166 55.3(14) 2_767 2_767 ?
C166 Cl5 C166 155.5(6) . 2_767 ?
Cl5 Cl5 Cl6 145.8(17) 2_767 . ?
C166 Cl5 Cl6 47.2(7) . . ?
C166 Cl5 Cl6 156.3(8) 2_767 . ?
C166 Cl6 Cl5 36.7(5) . . ?
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 N1 2.063(6) . ?
Cu1 N2 2.155(6) . ?
Cu1 P3 2.234(2) . ?
Cu1 P5 2.256(2) . ?
Cu2 N4 2.073(6) . ?
Cu2 N5 2.124(6) . ?
Cu2 P6 2.237(3) . ?
Cu2 P4 2.252(2) . ?
Cu3 N7A 1.957(13) . ?
Cu3 N7 1.951(12) . ?
Cu3 P1 2.238(3) . ?
Cu3 P2 2.246(3) . ?
Cu3 N9A 2.293(13) . ?
Cu3 N9 2.465(15) . ?
P1 C7 1.806(10) . ?
P1 C1 1.819(9) . ?
P1 C13 1.820(9) . ?
P2 C19 1.809(9) . ?
P2 C25 1.824(11) . ?
P2 C31 1.859(11) . ?
P3 C43 1.812(8) . ?
P3 C49 1.811(7) . ?
P3 C37 1.841(7) . ?
P4 C67 1.816(9) . ?
P4 C55 1.819(8) . ?
P4 C61 1.841(8) . ?
P5 C73 1.816(8) . ?
P5 C85 1.825(7) . ?
P5 C79 1.831(8) . ?
P6 C105 1.798(10) . ?
P6 C93 1.827(9) . ?
P6 C99 1.836(9) . ?
N1 C125 1.333(9) . ?
N1 C119 1.355(8) . ?
N2 C127 1.326(8) . ?
N2 C126 1.335(9) . ?
N3 C125 1.387(9) . ?
N3 C124 1.399(8) . ?
N3 C113 1.431(9) . ?
N4 C155 1.323(9) . ?
N4 C149 1.369(8) . ?
N5 C160 1.326(9) . ?
N5 C156 1.338(10) . ?
N6 C155 1.360(9) . ?
N6 C153 1.415(8) . ?
N6 C111 1.434(9) . ?
N7 N9 1.200(16) . ?
N7 C144 1.300(18) . ?
N7 C146 1.331(14) . ?
N7 C142 1.35(2) . ?
N7 N7A 1.546(16) . ?
N7A C145 1.168(17) . ?
N7A N9A 1.198(15) . ?
N7A C146 1.312(13) . ?
N7A C143 1.360(19) . ?
N8 C146 1.328(12) . ?
N8 C117 1.387(18) . ?
N8 C144 1.44(2) . ?
N8 N8A 1.493(15) . ?
N8 C140 1.503(13) . ?
N8 C118 1.799(19) . ?
N8A C146 1.372(13) . ?
N8A C118 1.490(18) . ?
N8A C141 1.504(13) . ?
N8A C145 1.543(18) . ?
N8A C117 1.755(18) . ?
N9A C143 0.861(16) . ?
N9A C145 1.32(2) . ?
N9A C133 1.364(14) . ?
N9 C142 0.71(2) . ?
N9 C132 1.331(15) . ?
N9 C144 1.36(2) . ?
C1 C2 1.368(12) . ?
C1 C6 1.401(11) . ?
C2 C3 1.390(12) . ?
C3 C4 1.374(13) . ?
C4 C5 1.367(12) . ?
C5 C6 1.399(12) . ?
C7 C8 1.392(13) . ?
C7 C11 1.413(12) . ?
C8 C9 1.412(15) . ?
C9 C10 1.372(17) . ?
C10 C12 1.386(17) . ?
C11 C12 1.358(13) . ?
C13 C15 1.346(12) . ?
C13 C18 1.393(13) . ?
C14 C15 1.369(13) . ?
C14 C16 1.368(15) . ?
C16 C17 1.380(16) . ?
C17 C18 1.421(13) . ?
C19 C20 1.343(12) . ?
C19 C24 1.388(12) . ?
C20 C21 1.433(13) . ?
C21 C22 1.321(14) . ?
C22 C23 1.355(14) . ?
C23 C24 1.400(13) . ?
C25 C26 1.351(14) . ?
C25 C29 1.361(15) . ?
C26 C27 1.406(17) . ?
C27 C28 1.356(18) . ?
C28 C30 1.357(19) . ?
C29 C30 1.368(16) . ?
C31 C36 1.342(14) . ?
C31 C35 1.386(14) . ?
C32 C34 1.29(2) . ?
C32 C36 1.429(19) . ?
C33 C35 1.370(15) . ?
C33 C34 1.378(19) . ?
C37 C42 1.390(10) . ?
C37 C38 1.386(11) . ?
C38 C39 1.393(11) . ?
C39 C40 1.371(13) . ?
C40 C41 1.351(13) . ?
C41 C42 1.399(11) . ?
C43 C46 1.383(10) . ?
C43 C48 1.395(10) . ?
C44 C48 1.375(11) . ?
C44 C47 1.383(12) . ?
C45 C47 1.379(12) . ?
C45 C46 1.375(11) . ?
C49 C54 1.383(12) . ?
C49 C50 1.412(11) . ?
C50 C51 1.384(11) . ?
C51 C52 1.372(12) . ?
C52 C53 1.288(13) . ?
C53 C54 1.372(13) . ?
C55 C60 1.376(11) . ?
C55 C56 1.380(11) . ?
C56 C57 1.386(12) . ?
C57 C58 1.342(13) . ?
C58 C59 1.348(13) . ?
C59 C60 1.392(12) . ?
C61 C62 1.384(11) . ?
C61 C66 1.401(11) . ?
C62 C63 1.382(13) . ?
C63 C64 1.326(14) . ?
C64 C65 1.361(14) . ?
C65 C66 1.402(12) . ?
C67 C68 1.359(12) . ?
C67 C72 1.397(11) . ?
C68 C69 1.368(13) . ?
C69 C70 1.349(16) . ?
C70 C71 1.380(15) . ?
C71 C72 1.390(12) . ?
C73 C78 1.369(11) . ?
C73 C74 1.421(10) . ?
C74 C75 1.398(12) . ?
C75 C76 1.343(13) . ?
C76 C77 1.372(13) . ?
C77 C78 1.389(12) . ?
C79 C80 1.364(10) . ?
C79 C84 1.394(11) . ?
C80 C81 1.414(11) . ?
C81 C82 1.364(12) . ?
C82 C83 1.361(13) . ?
C83 C84 1.379(12) . ?
C85 C86 1.375(10) . ?
C85 C90 1.383(10) . ?
C86 C87 1.392(11) . ?
C87 C88 1.353(13) . ?
C88 C89 1.346(12) . ?
C89 C90 1.368(11) . ?
C93 C97 1.314(12) . ?
C93 C94 1.36(2) . ?
C93 C94A 1.51(2) . ?
C94 C94A 1.02(3) . ?
C94 C95 1.39(3) . ?
C94 C95A 1.75(4) . ?
C94A C95A 1.43(3) . ?
C94A C95 1.83(3) . ?
C95 C95A 1.22(3) . ?
C95 C96 1.35(2) . ?
C95A C96 1.51(3) . ?
C96 C98 1.282(15) . ?
C97 C98 1.424(13) . ?
C99 C104 1.384(13) . ?
C99 C100 1.400(12) . ?
C100 C101 1.454(14) . ?
C101 C102 1.320(16) . ?
C102 C103 1.353(16) . ?
C103 C104 1.385(12) . ?
C105 C106 1.365(12) . ?
C105 C110 1.378(11) . ?
C106 C107 1.360(13) . ?
C107 C108 1.415(14) . ?
C108 C109 1.371(14) . ?
C109 C110 1.412(12) . ?
C111 C115 1.29(4) . ?
C111 C112 1.380(10) . ?
C111 C116 1.50(4) . ?
C112 C113 1.384(10) . ?
C113 C114 1.367(10) . ?
C114 C118 1.430(17) . ?
C114 C117 1.442(17) . ?
C115 C116 0.52(5) . ?
C115 C118 1.41(4) . ?
C115 C117 1.65(3) . ?
C116 C118 1.35(5) . ?
C116 C117 1.35(5) . ?
C117 C118 0.733(16) . ?
C119 C124 1.399(10) . ?
C119 C120 1.399(9) . ?
C120 C121 1.387(10) . ?
C121 C122 1.398(11) . ?
C122 C123 1.373(10) . ?
C123 C124 1.380(9) . ?
C125 C126 1.478(10) . ?
C126 C131 1.383(10) . ?
C127 C128 1.349(10) . ?
C128 C130 1.379(11) . ?
C130 C131 1.401(10) . ?
C132 C135 1.390(12) . ?
C132 C142 1.47(2) . ?
C133 C134 1.375(14) . ?
C133 C143 1.479(18) . ?
C134 C148 1.36(2) . ?
C134 C137 1.52(2) . ?
C135 C136 1.39(2) . ?
C135 C147 1.46(3) . ?
C136 C147 0.67(3) . ?
C136 C139 1.43(3) . ?
C137 C148 0.71(2) . ?
C137 C138 1.42(3) . ?
C138 C148 1.10(2) . ?
C138 C141 1.213(17) . ?
C139 C147 0.94(2) . ?
C139 C140 1.116(18) . ?
C140 C144 1.154(16) . ?
C140 C142 1.56(2) . ?
C140 C147 1.57(3) . ?
C141 C145 1.232(16) . ?
C141 C143 1.499(19) . ?
C141 C148 1.63(2) . ?
C142 C144 0.78(2) . ?
C143 C145 0.756(17) . ?
C144 C146 1.542(17) . ?
C145 C146 1.542(16) . ?
C149 C153 1.392(10) . ?
C149 C152 1.417(10) . ?
C150 C152 1.356(10) . ?
C150 C151 1.393(11) . ?
C151 C154 1.360(10) . ?
C153 C154 1.381(10) . ?
C155 C156 1.483(9) . ?
C156 C157 1.344(10) . ?
C157 C158 1.422(11) . ?
C158 C159 1.388(12) . ?
C159 C160 1.371(10) . ?
C161 Cl4 1.609(17) . ?
C161 Cl3 1.88(2) . ?
C162 C164 1.41(2) . ?
C162 C163 1.41(2) 2_666 ?
C163 C164 1.36(2) . ?
C163 C162 1.41(2) 2_666 ?
C165 Cl2 1.605(13) . ?
C165 Cl1 1.740(15) . ?
C166 Cl5 1.449(17) . ?
C166 Cl5 1.735(18) 2_767 ?
C166 Cl6 1.777(18) . ?
B1 F2 1.31(2) . ?
B1 F1 1.315(17) . ?
B1 F3 1.365(18) . ?
B1 F4 1.38(2) . ?
B2 F7 1.324(14) . ?
B2 F8 1.370(15) . ?
B2 F5 1.387(16) . ?
B2 F6 1.390(17) . ?
B3 F12 1.06(2) . ?
B3 F9 1.32(2) . ?
B3 F11A 1.40(3) . ?
B3 F10 1.407(17) . ?
B3 F12A 1.43(3) . ?
B3 F11 1.64(3) . ?
F11 F12 0.69(2) . ?
F11A F12A 0.999(17) . ?
F11A F12 1.50(2) . ?
Cl5 Cl5 0.730(15) 2_767 ?
Cl5 C166 1.735(18) 2_767 ?
Cl5 Cl6 2.410(11) . ?
