#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:50:43 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179131 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/93/4309335.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_4309335
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            'C116 H96 B2 Cu2 F8 N6 P4'
_chemical_formula_weight         1998.57
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 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                 98.577(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   15.941(7)
_cell_length_b                   10.920(5)
_cell_length_c                   29.012(13)
_cell_measurement_temperature    296(2)
_cell_volume                     4994(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_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      296(2)
_diffrn_measured_fraction_theta_full 0.926
_diffrn_measured_fraction_theta_max 0.926
_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  0.1080
_diffrn_reflns_av_sigmaI/netI    0.2395
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            34315
_diffrn_reflns_theta_full        28.43
_diffrn_reflns_theta_max         28.43
_diffrn_reflns_theta_min         1.42
_exptl_absorpt_coefficient_mu    0.558
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.659
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.329
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2068
_exptl_crystal_size_max          .3
_exptl_crystal_size_mid          .4
_exptl_crystal_size_min          .5
_refine_diff_density_max         0.441
_refine_diff_density_min         -0.304
_refine_diff_density_rms         0.060
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.769
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     604
_refine_ls_number_reflns         11660
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.769
_refine_ls_R_factor_all          0.2471
_refine_ls_R_factor_gt           0.0721
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0938P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1660
_refine_ls_wR_factor_ref         0.2124
_reflns_number_gt                3057
_reflns_number_total             11660
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0504893si20050515_032104.cif
_cod_data_source_block           4tm
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4309335
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, 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 -0.26317(4) 0.22100(7) 0.13798(3) 0.0696(3) Uani 1 1 d . . .
P1 P -0.18854(10) 0.06872(15) 0.11112(6) 0.0743(5) Uani 1 1 d . . .
P2 P -0.40498(10) 0.24433(14) 0.12040(6) 0.0733(5) Uani 1 1 d . . .
N1 N -0.2319(3) 0.2638(5) 0.21179(18) 0.0775(15) Uani 1 1 d . . .
N2 N -0.1921(3) 0.3784(4) 0.13641(18) 0.0670(13) Uani 1 1 d . . .
N3 N -0.1005(3) 0.5062(4) 0.17689(18) 0.0672(13) Uani 1 1 d . . .
C1 C -0.1811(5) 0.0911(6) 0.0500(2) 0.083(2) Uani 1 1 d . . .
C2 C -0.1060(6) 0.1028(7) 0.0332(3) 0.108(2) Uani 1 1 d . . .
H2A H -0.0551 0.0930 0.0533 0.129 Uiso 1 1 calc R . .
C3 C -0.1047(7) 0.1297(8) -0.0141(4) 0.144(3) Uani 1 1 d . . .
H3A H -0.0538 0.1335 -0.0260 0.173 Uiso 1 1 calc R . .
C4 C -0.1803(10) 0.1502(9) -0.0421(4) 0.157(4) Uani 1 1 d . . .
H4A H -0.1803 0.1745 -0.0728 0.188 Uiso 1 1 calc R . .
C5 C -0.2547(7) 0.1359(11) -0.0262(4) 0.154(4) Uani 1 1 d . . .
H5A H -0.3056 0.1441 -0.0463 0.185 Uiso 1 1 calc R . .
C6 C -0.2548(5) 0.1086(7) 0.0209(3) 0.117(3) Uani 1 1 d . . .
H6A H -0.3061 0.1024 0.0323 0.141 Uiso 1 1 calc R . .
C7 C -0.2260(4) -0.0857(6) 0.1139(3) 0.0780(19) Uani 1 1 d . . .
C8 C -0.2399(5) -0.1628(8) 0.0774(3) 0.109(3) Uani 1 1 d . . .
H8A H -0.2302 -0.1361 0.0482 0.131 Uiso 1 1 calc R . .
C9 C -0.2685(6) -0.2812(11) 0.0824(5) 0.135(3) Uani 1 1 d . . .
H9A H -0.2753 -0.3353 0.0574 0.162 Uiso 1 1 calc R . .
C10 C -0.2862(6) -0.3165(10) 0.1247(6) 0.138(4) Uani 1 1 d . . .
H10A H -0.3094 -0.3938 0.1276 0.166 Uiso 1 1 calc R . .
C11 C -0.2717(5) -0.2437(10) 0.1629(4) 0.117(3) Uani 1 1 d . . .
H11A H -0.2812 -0.2710 0.1920 0.141 Uiso 1 1 calc R . .
C12 C -0.2422(5) -0.1278(8) 0.1565(3) 0.105(2) Uani 1 1 d . . .
H12A H -0.2326 -0.0755 0.1820 0.126 Uiso 1 1 calc R . .
C13 C -0.0793(4) 0.0535(6) 0.1387(2) 0.0734(17) Uani 1 1 d . . .
C14 C -0.0424(4) 0.1398(7) 0.1675(3) 0.113(3) Uani 1 1 d . . .
H14A H -0.0731 0.2100 0.1722 0.135 Uiso 1 1 calc R . .
C15 C 0.0398(5) 0.1286(9) 0.1907(3) 0.140(3) Uani 1 1 d . . .
H15A H 0.0627 0.1887 0.2115 0.168 Uiso 1 1 calc R . .
C16 C 0.0859(5) 0.0309(9) 0.1828(3) 0.117(3) Uani 1 1 d . . .
H16A H 0.1420 0.0250 0.1972 0.141 Uiso 1 1 calc R . .
C17 C 0.0528(5) -0.0577(7) 0.1548(3) 0.102(2) Uani 1 1 d . . .
H17A H 0.0848 -0.1266 0.1502 0.123 Uiso 1 1 calc R . .
C18 C -0.0307(4) -0.0472(6) 0.1320(2) 0.0866(19) Uani 1 1 d . . .
H18A H -0.0537 -0.1092 0.1120 0.104 Uiso 1 1 calc R . .
C19 C -0.4421(4) 0.2532(7) 0.0598(3) 0.084(2) Uani 1 1 d . . .
C20 C -0.4087(5) 0.3425(9) 0.0350(3) 0.116(3) Uani 1 1 d . . .
H20A H -0.3681 0.3951 0.0506 0.140 Uiso 1 1 calc R . .
C21 C -0.4330(8) 0.3580(12) -0.0130(5) 0.170(4) Uani 1 1 d . . .
H21A H -0.4103 0.4203 -0.0292 0.204 Uiso 1 1 calc R . .
C22 C -0.4905(13) 0.2793(17) -0.0348(8) 0.227(10) Uani 1 1 d . . .
H22A H -0.5083 0.2912 -0.0665 0.273 Uiso 1 1 calc R . .
C23 C -0.5237(12) 0.1860(14) -0.0146(6) 0.214(9) Uani 1 1 d . . .
H23A H -0.5614 0.1310 -0.0310 0.257 Uiso 1 1 calc R . .
C24 C -0.4977(6) 0.1770(9) 0.0333(4) 0.154(4) Uani 1 1 d . . .
H24A H -0.5203 0.1130 0.0487 0.185 Uiso 1 1 calc R . .
C25 C -0.4512(4) 0.3791(6) 0.1418(2) 0.0744(17) Uani 1 1 d . . .
C26 C -0.4135(5) 0.4373(9) 0.1805(3) 0.157(4) Uani 1 1 d . . .
H26A H -0.3613 0.4094 0.1953 0.188 Uiso 1 1 calc R . .
C27 C -0.4501(6) 0.5358(12) 0.1984(4) 0.203(6) Uani 1 1 d . . .
H27A H -0.4218 0.5735 0.2250 0.243 Uiso 1 1 calc R . .
C28 C -0.5251(7) 0.5797(8) 0.1789(4) 0.133(3) Uani 1 1 d . . .
H28A H -0.5495 0.6458 0.1922 0.159 Uiso 1 1 calc R . .
C29 C -0.5645(6) 0.5270(9) 0.1402(4) 0.141(4) Uani 1 1 d . . .
H29A H -0.6160 0.5578 0.1254 0.169 Uiso 1 1 calc R . .
C30 C -0.5288(5) 0.4279(7) 0.1225(3) 0.115(3) Uiso 1 1 d . . .
H30A H -0.5580 0.3907 0.0960 0.139 Uiso 1 1 calc R . .
C31 C -0.4590(9) 0.1267(13) 0.1532(5) 0.073(4) Uiso 0.50 1 d P . .
C31A C -0.4701(8) 0.1163(12) 0.1305(5) 0.065(4) Uiso 0.50 1 d P . .
C32 C -0.4927(15) 0.160(2) 0.1978(9) 0.069(7) Uiso 0.25 1 d P . .
C32A C -0.5603(8) 0.1252(12) 0.1319(5) 0.087(4) Uiso 0.50 1 d P . .
C32B C -0.527(2) 0.140(3) 0.1699(13) 0.095(9) Uiso 0.25 1 d P . .
C33 C -0.5230(17) 0.072(2) 0.2227(9) 0.092(8) Uiso 0.25 1 d P . .
C33A C -0.6067(9) 0.0235(13) 0.1448(5) 0.089(4) Uiso 0.50 1 d P . .
C33B C -0.580(2) 0.038(3) 0.1790(12) 0.103(9) Uiso 0.25 1 d P . .
C34 C -0.5303(14) -0.0558(19) 0.1965(8) 0.157(7) Uiso 0.50 1 d P . .
C34A C -0.5635(10) -0.0819(13) 0.1586(5) 0.100(4) Uiso 0.50 1 d P . .
C35 C -0.4888(11) -0.0962(14) 0.1450(6) 0.103(6) Uiso 0.50 1 d P . .
C35A C -0.4718(11) -0.0863(15) 0.1707(6) 0.099(5) Uiso 0.50 1 d P . .
C36 C -0.4425(8) 0.0037(13) 0.1320(5) 0.068(4) Uiso 0.50 1 d P . .
C36A C -0.4267(9) 0.0118(15) 0.1562(6) 0.090(5) Uiso 0.50 1 d P . .
C37 C -0.2686(4) 0.2152(7) 0.2458(3) 0.101(2) Uani 1 1 d . . .
H37A H -0.2931 0.1381 0.2408 0.122 Uiso 1 1 calc R . .
C38 C -0.2728(5) 0.2716(9) 0.2876(3) 0.126(3) Uani 1 1 d . . .
H38A H -0.2967 0.2334 0.3112 0.152 Uiso 1 1 calc R . .
C39 C -0.2390(5) 0.3897(9) 0.2928(3) 0.119(3) Uani 1 1 d . . .
H39A H -0.2437 0.4337 0.3197 0.143 Uiso 1 1 calc R . .
C40 C -0.1992(4) 0.4421(7) 0.2590(2) 0.088(2) Uani 1 1 d . . .
H40A H -0.1748 0.5195 0.2630 0.106 Uiso 1 1 calc R . .
C41 C -0.1967(3) 0.3757(6) 0.2187(2) 0.0633(15) Uani 1 1 d . . .
C42 C -0.1627(4) 0.4198(5) 0.1784(2) 0.0601(15) Uani 1 1 d . . .
C43 C -0.0885(4) 0.5174(6) 0.1305(2) 0.0662(16) Uani 1 1 d . . .
C44 C -0.0325(4) 0.5892(6) 0.1106(3) 0.096(2) Uani 1 1 d . . .
H44A H 0.0061 0.6413 0.1281 0.115 Uiso 1 1 calc R . .
C45 C -0.0383(6) 0.5778(8) 0.0629(4) 0.122(3) Uani 1 1 d . . .
H45A H -0.0024 0.6246 0.0475 0.146 Uiso 1 1 calc R . .
C46 C -0.0954(6) 0.4992(8) 0.0368(3) 0.111(3) Uani 1 1 d . . .
H46A H -0.0970 0.4946 0.0046 0.133 Uiso 1 1 calc R . .
C47 C -0.1492(4) 0.4288(6) 0.0579(2) 0.088(2) Uani 1 1 d . . .
H47A H -0.1873 0.3758 0.0406 0.106 Uiso 1 1 calc R . .
C48 C -0.1460(4) 0.4381(6) 0.1064(2) 0.0679(16) Uani 1 1 d . . .
C49 C -0.0498(4) 0.5682(6) 0.2148(2) 0.0704(17) Uani 1 1 d . . .
C50 C 0.0000 0.7616(8) 0.2500 0.079(3) Uani 1 2 d S . .
C51 C 0.0000 0.5012(8) 0.2500 0.068(2) Uani 1 2 d S . .
C52 C -0.0490(4) 0.6960(6) 0.2156(2) 0.0831(19) Uani 1 1 d . . .
H52A H -0.0830 0.7383 0.1920 0.100 Uiso 1 1 calc R . .
C53 C 0.2682(16) 0.336(3) 0.0463(9) 0.194(10) Uiso 0.50 1 d P . .
C54 C 0.2407(17) 0.245(3) 0.0496(10) 0.166(9) Uiso 0.50 1 d P . .
C55 C 0.218(3) 0.346(4) 0.0805(11) 0.207(13) Uiso 0.50 1 d P . .
C56 C 0.1608(18) 0.395(2) 0.0856(8) 0.158(8) Uiso 0.50 1 d P . .
C57 C 0.138(3) 0.203(4) 0.0441(14) 0.261(17) Uiso 0.50 1 d P . .
C58 C 0.122(2) 0.311(3) 0.0920(10) 0.176(12) Uiso 0.50 1 d P . .
C59 C 0.240(2) 0.168(3) 0.0728(13) 0.232(13) Uiso 0.50 1 d P . .
C60 C 0.103(2) 0.281(3) 0.0692(14) 0.197(13) Uiso 0.50 1 d P . .
C61 C 0.257(2) 0.274(4) 0.0836(14) 0.233(16) Uiso 0.50 1 d P . .
C62 C 0.151(2) 0.181(3) 0.0756(11) 0.188(10) Uiso 0.50 1 d P . .
C63 C 0.234(2) 0.461(3) 0.0699(10) 0.249(13) Uiso 0.50 1 d P . .
F1 F -0.7526(6) 0.8263(11) 0.1604(4) 0.125(3) Uiso 0.50 1 d P . .
F1A F -0.7411(10) 0.8819(16) 0.2309(7) 0.115(6) Uiso 0.25 1 d P . .
F2 F -0.7016(7) 0.6701(10) 0.2076(4) 0.131(4) Uiso 0.50 1 d P . .
F2A F -0.7940(12) 0.7872(17) 0.2315(6) 0.113(5) Uiso 0.25 1 d P . .
F3 F -0.8348(7) 0.6798(9) 0.1723(4) 0.145(4) Uiso 0.50 1 d P . .
F3A F -0.8254(7) 0.7225(11) 0.2039(5) 0.146(4) Uiso 0.50 1 d P . .
F4 F -0.6821(7) 0.7226(11) 0.2249(4) 0.144(4) Uiso 0.50 1 d P . .
F1B F -0.7194(13) 0.739(2) 0.1478(7) 0.124(6) Uiso 0.25 1 d P . .
F2B F -0.7458(8) 0.8746(14) 0.1939(7) 0.192(5) Uiso 0.50 1 d P . .
F4B F -0.758(2) 0.665(3) 0.1429(11) 0.226(13) Uiso 0.25 1 d P . .
B1 B -0.7509(12) 0.777(2) 0.2017(8) 0.084(5) Uiso 0.50 1 d P . .
B1A B -0.7563(14) 0.730(2) 0.1748(10) 0.102(6) Uiso 0.50 1 d P . .
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'
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
N2 Cu1 N1 78.3(2) . . ?
N2 Cu1 P1 106.70(14) . . ?
N1 Cu1 P1 116.36(14) . . ?
N2 Cu1 P2 115.86(13) . . ?
N1 Cu1 P2 105.85(14) . . ?
P1 Cu1 P2 124.66(7) . . ?
C7 P1 C1 104.0(4) . . ?
C7 P1 C13 101.5(3) . . ?
C1 P1 C13 104.2(3) . . ?
C7 P1 Cu1 118.8(2) . . ?
C1 P1 Cu1 110.8(2) . . ?
C13 P1 Cu1 115.9(2) . . ?
C19 P2 C31A 95.1(5) . . ?
C19 P2 C25 101.8(3) . . ?
C31A P2 C25 107.8(5) . . ?
C19 P2 C31 115.4(5) . . ?
C31A P2 C31 20.7(5) . . ?
C25 P2 C31 98.1(5) . . ?
C19 P2 Cu1 113.9(2) . . ?
C31A P2 Cu1 117.4(4) . . ?
C25 P2 Cu1 117.6(2) . . ?
C31 P2 Cu1 109.1(4) . . ?
C37 N1 C41 118.1(6) . . ?
C37 N1 Cu1 125.6(5) . . ?
C41 N1 Cu1 111.8(4) . . ?
C42 N2 C48 105.7(5) . . ?
C42 N2 Cu1 112.7(4) . . ?
C48 N2 Cu1 138.8(5) . . ?
C42 N3 C43 107.1(5) . . ?
C42 N3 C49 128.8(5) . . ?
C43 N3 C49 123.8(5) . . ?
C6 C1 C2 119.4(7) . . ?
C6 C1 P1 116.9(7) . . ?
C2 C1 P1 123.4(6) . . ?
C1 C2 C3 120.6(8) . . ?
C4 C3 C2 118.2(10) . . ?
C5 C4 C3 121.5(11) . . ?
C4 C5 C6 119.3(10) . . ?
C1 C6 C5 120.8(8) . . ?
C8 C7 C12 117.7(8) . . ?
C8 C7 P1 124.8(7) . . ?
C12 C7 P1 117.5(7) . . ?
C7 C8 C9 121.3(9) . . ?
C10 C9 C8 118.5(10) . . ?
C9 C10 C11 122.7(11) . . ?
C10 C11 C12 116.8(10) . . ?
C11 C12 C7 122.8(8) . . ?
C14 C13 C18 116.7(6) . . ?
C14 C13 P1 121.0(5) . . ?
C18 C13 P1 122.3(5) . . ?
C13 C14 C15 122.4(7) . . ?
C16 C15 C14 119.6(8) . . ?
C17 C16 C15 120.7(8) . . ?
C16 C17 C18 119.7(7) . . ?
C13 C18 C17 120.9(7) . . ?
C24 C19 C20 114.2(8) . . ?
C24 C19 P2 128.1(8) . . ?
C20 C19 P2 117.6(6) . . ?
C19 C20 C21 122.6(10) . . ?
C22 C21 C20 117.3(16) . . ?
C23 C22 C21 125(2) . . ?
C22 C23 C24 114.6(19) . . ?
C19 C24 C23 126.1(12) . . ?
C26 C25 C30 114.5(7) . . ?
C26 C25 P2 121.2(6) . . ?
C30 C25 P2 124.2(6) . . ?
C25 C26 C27 121.7(8) . . ?
C28 C27 C26 122.0(9) . . ?
C27 C28 C29 118.8(9) . . ?
C28 C29 C30 119.3(9) . . ?
C29 C30 C25 123.6(8) . . ?
C31A C31 C32B 106(3) . . ?
C31A C31 C36A 87(2) . . ?
C32B C31 C36A 115.0(19) . . ?
C31A C31 C36 58.9(18) . . ?
C32B C31 C36 117.9(19) . . ?
C36A C31 C36 28.0(8) . . ?
C31A C31 C32 144(3) . . ?
C32B C31 C32 38.1(16) . . ?
C36A C31 C32 110.5(16) . . ?
C36 C31 C32 131.6(15) . . ?
C31A C31 C32A 61.7(19) . . ?
C32B C31 C32A 44.7(17) . . ?
C36A C31 C32A 111.0(12) . . ?
C36 C31 C32A 93.4(10) . . ?
C32 C31 C32A 82.6(13) . . ?
C31A C31 P2 71.9(19) . . ?
C32B C31 P2 127.0(18) . . ?
C36A C31 P2 117.7(12) . . ?
C36 C31 P2 106.2(10) . . ?
C32 C31 P2 120.9(12) . . ?
C32A C31 P2 108.4(9) . . ?
C31 C31A C36 95(2) . . ?
C31 C31A C32A 94(2) . . ?
C36 C31A C32A 113.2(12) . . ?
C31 C31A C36A 66.3(19) . . ?
C36 C31A C36A 28.9(8) . . ?
C32A C31A C36A 115.4(12) . . ?
C31 C31A C32B 50(2) . . ?
C36 C31A C32B 110.8(15) . . ?
C32A C31A C32B 44.6(12) . . ?
C36A C31A C32B 92.2(15) . . ?
C31 C31A P2 87(2) . . ?
C36 C31A P2 122.8(11) . . ?
C32A C31A P2 123.6(10) . . ?
C36A C31A P2 116.5(10) . . ?
C32B C31A P2 113.6(14) . . ?
C32B C32 C33 95(3) . . ?
C32B C32 C31 56(2) . . ?
C33 C32 C31 119(2) . . ?
C32B C32 C33B 45(2) . . ?
C33 C32 C33B 50.0(16) . . ?
C31 C32 C33B 85.6(16) . . ?
C32B C32A C33A 92.3(19) . . ?
C32B C32A C31A 74.0(18) . . ?
C33A C32A C31A 121.0(12) . . ?
C32B C32A C31 50.1(16) . . ?
C33A C32A C31 115.6(11) . . ?
C31A C32A C31 23.9(7) . . ?
C32B C32A C33B 55.7(18) . . ?
C33A C32A C33B 36.6(11) . . ?
C31A C32A C33B 106.4(14) . . ?
C31 C32A C33B 89.5(14) . . ?
C32 C32B C32A 169(4) . . ?
C32 C32B C31 86(3) . . ?
C32A C32B C31 85(2) . . ?
C32 C32B C33B 108(4) . . ?
C32A C32B C33B 83(3) . . ?
C31 C32B C33B 123(3) . . ?
C32 C32B C31A 110(3) . . ?
C32A C32B C31A 61.4(17) . . ?
C31 C32B C31A 23.8(10) . . ?
C33B C32B C31A 115(2) . . ?
C32 C32B C33 52(2) . . ?
C32A C32B C33 139(3) . . ?
C31 C32B C33 112(3) . . ?
C33B C32B C33 56.2(19) . . ?
C31A C32B C33 129(2) . . ?
C32 C32B C33A 141(3) . . ?
C32A C32B C33A 49.3(15) . . ?
C31 C32B C33A 110(2) . . ?
C33B C32B C33A 33.4(15) . . ?
C31A C32B C33A 92.1(18) . . ?
C33 C32B C33A 89.4(17) . . ?
C32 C33 C33B 87(2) . . ?
C32 C33 C34 112(2) . . ?
C33B C33 C34 51.8(15) . . ?
C32 C33 C33 112(2) . 2_455 ?
C33B C33 C33 161(2) . 2_455 ?
C34 C33 C33 116.9(13) . 2_455 ?
C32 C33 C32B 33.5(14) . . ?
C33B C33 C32B 53.3(16) . . ?
C34 C33 C32B 87.7(18) . . ?
C33 C33 C32B 146(2) 2_455 . ?
C33B C33A C34A 74(2) . . ?
C33B C33A C32A 89(2) . . ?
C34A C33A C32A 118.6(13) . . ?
C33B C33A C32B 50(2) . . ?
C34A C33A C32B 100.1(14) . . ?
C32A C33A C32B 38.4(10) . . ?
C33B C33A C34 38.9(19) . . ?
C34A C33A C34 35.6(9) . . ?
C32A C33A C34 104.8(11) . . ?
C32B C33A C34 72.4(13) . . ?
C33A C33B C34 112(3) . . ?
C33A C33B C32B 96(3) . . ?
C34 C33B C32B 109(3) . . ?
C33A C33B C34A 63(2) . . ?
C34 C33B C34A 49.2(14) . . ?
C32B C33B C34A 118(2) . . ?
C33A C33B C33 165(3) . . ?
C34 C33B C33 68(2) . . ?
C32B C33B C33 70(2) . . ?
C34A C33B C33 116(2) . . ?
C33A C33B C32A 54.8(18) . . ?
C34 C33B C32A 123(2) . . ?
C32B C33B C32A 41.6(16) . . ?
C34A C33B C32A 96.3(19) . . ?
C33 C33B C32A 112(2) . . ?
C33A C33B C32 123(3) . . ?
C34 C33B C32 93(2) . . ?
C32B C33B C32 27.3(16) . . ?
C34A C33B C32 124(2) . . ?
C33 C33B C32 43.2(14) . . ?
C32A C33B C32 68.9(15) . . ?
C34A C34 C35A 70.6(16) . . ?
C34A C34 C33B 71(2) . . ?
C35A C34 C33B 114(2) . . ?
C34A C34 C33 130(2) . . ?
C35A C34 C33 119(2) . . ?
C33B C34 C33 60.5(18) . . ?
C34A C34 C35 47.9(12) . . ?
C35A C34 C35 23.0(10) . . ?
C33B C34 C35 98(2) . . ?
C33 C34 C35 127.7(17) . . ?
C34A C34 C33A 42.5(11) . . ?
C35A C34 C33A 95.0(15) . . ?
C33B C34 C33A 28.8(15) . . ?
C33 C34 C33A 88.4(14) . . ?
C35 C34 C33A 74.7(11) . . ?
C34 C34A C35 90.4(17) . . ?
C34 C34A C33A 101.9(17) . . ?
C35 C34A C33A 116.6(15) . . ?
C34 C34A C35A 59.2(13) . . ?
C35 C34A C35A 31.4(10) . . ?
C33A C34A C35A 122.8(13) . . ?
C34 C34A C33B 59.7(16) . . ?
C35 C34A C33B 116.5(18) . . ?
C33A C34A C33B 42.3(13) . . ?
C35A C34A C33B 99.5(17) . . ?
C35A C35 C34A 84(2) . . ?
C35A C35 C36 92(2) . . ?
C34A C35 C36 121.6(15) . . ?
C35A C35 C36A 64(2) . . ?
C34A C35 C36A 115.3(14) . . ?
C36 C35 C36A 27.5(8) . . ?
C35A C35 C34 42.7(19) . . ?
C34A C35 C34 41.7(9) . . ?
C36 C35 C34 108.0(13) . . ?
C36A C35 C34 86.6(12) . . ?
C35 C35A C34 114(3) . . ?
C35 C35A C36A 86(2) . . ?
C34 C35A C36A 114.6(17) . . ?
C35 C35A C34A 65(2) . . ?
C34 C35A C34A 50.1(11) . . ?
C36A C35A C34A 116.7(14) . . ?
C35 C35A C36 60(2) . . ?
C34 C35A C36 122.8(16) . . ?
C36A C35A C36 26.2(8) . . ?
C34A C35A C36 101.4(13) . . ?
C36A C36 C31A 89(2) . . ?
C36A C36 C35 87(2) . . ?
C31A C36 C35 123.7(13) . . ?
C36A C36 C31 63.2(18) . . ?
C31A C36 C31 26.0(8) . . ?
C35 C36 C31 116.8(12) . . ?
C36A C36 C35A 59.3(18) . . ?
C31A C36 C35A 117.9(12) . . ?
C35 C36 C35A 28.2(8) . . ?
C31 C36 C35A 99.9(11) . . ?
C36 C36A C31 89(2) . . ?
C36 C36A C35A 95(2) . . ?
C31 C36A C35A 121.6(15) . . ?
C36 C36A C31A 62.0(18) . . ?
C31 C36A C31A 26.8(8) . . ?
C35A C36A C31A 121.6(13) . . ?
C36 C36A C35 65.1(19) . . ?
C31 C36A C35 118.0(13) . . ?
C35A C36A C35 29.5(9) . . ?
C31A C36A C35 104.3(13) . . ?
N1 C37 C38 124.2(7) . . ?
C37 C38 C39 116.1(7) . . ?
C40 C39 C38 121.4(7) . . ?
C39 C40 C41 117.4(7) . . ?
N1 C41 C40 122.6(6) . . ?
N1 C41 C42 112.4(6) . . ?
C40 C41 C42 124.9(6) . . ?
N2 C42 N3 111.4(5) . . ?
N2 C42 C41 120.6(6) . . ?
N3 C42 C41 127.9(6) . . ?
C48 C43 C44 124.9(7) . . ?
C48 C43 N3 105.0(6) . . ?
C44 C43 N3 130.1(7) . . ?
C43 C44 C45 114.7(7) . . ?
C44 C45 C46 122.8(8) . . ?
C47 C46 C45 120.5(8) . . ?
C46 C47 C48 118.6(7) . . ?
C43 C48 N2 110.7(6) . . ?
C43 C48 C47 118.5(6) . . ?
N2 C48 C47 130.8(7) . . ?
C52 C49 C51 120.5(6) . . ?
C52 C49 N3 119.1(6) . . ?
C51 C49 N3 120.4(6) . . ?
C52 C50 C52 117.1(9) . 2 ?
C49 C51 C49 117.1(8) 2 . ?
C50 C52 C49 122.4(7) . . ?
C54 C53 C61 50(2) . . ?
C54 C53 C55 74(3) . . ?
C61 C53 C55 43(2) . . ?
C54 C53 C63 123(3) . . ?
C61 C53 C63 89(3) . . ?
C55 C53 C63 51(2) . . ?
C61 C54 C59 71(3) . . ?
C61 C54 C53 76(4) . . ?
C59 C54 C53 144(4) . . ?
C61 C54 C55 41(3) . . ?
C59 C54 C55 100(3) . . ?
C53 C54 C55 61(2) . . ?
C61 C54 C57 106(3) . . ?
C59 C54 C57 75(3) . . ?
C53 C54 C57 130(3) . . ?
C55 C54 C57 87(2) . . ?
C61 C54 C62 80(3) . . ?
C59 C54 C62 51(2) . . ?
C53 C54 C62 136(3) . . ?
C55 C54 C62 76(2) . . ?
C57 C54 C62 30.3(14) . . ?
C61 C55 C56 154(6) . . ?
C61 C55 C63 129(5) . . ?
C56 C55 C63 76(4) . . ?
C61 C55 C53 65(4) . . ?
C56 C55 C53 137(5) . . ?
C63 C55 C53 76(3) . . ?
C61 C55 C54 43(3) . . ?
C56 C55 C54 137(4) . . ?
C63 C55 C54 119(3) . . ?
C53 C55 C54 44.5(18) . . ?
C61 C55 C58 112(5) . . ?
C56 C55 C58 43(2) . . ?
C63 C55 C58 118(4) . . ?
C53 C55 C58 142(3) . . ?
C54 C55 C58 105(3) . . ?
C61 C55 C60 106(4) . . ?
C56 C55 C60 54(3) . . ?
C63 C55 C60 121(4) . . ?
C53 C55 C60 119(3) . . ?
C54 C55 C60 86(2) . . ?
C58 C55 C60 22.6(15) . . ?
C61 C55 C59 29(3) . . ?
C56 C55 C59 131(3) . . ?
C63 C55 C59 149(4) . . ?
C53 C55 C59 73(3) . . ?
C54 C55 C59 32.2(16) . . ?
C58 C55 C59 89(2) . . ?
C60 C55 C59 78.2(18) . . ?
C55 C56 C58 97(3) . . ?
C55 C56 C63 59(3) . . ?
C58 C56 C63 155(3) . . ?
C55 C56 C60 92(3) . . ?
C58 C56 C60 27(2) . . ?
C63 C56 C60 137(3) . . ?
C55 C56 C61 13(3) . . ?
C58 C56 C61 85(2) . . ?
C63 C56 C61 72(2) . . ?
C60 C56 C61 83.4(18) . . ?
C62 C57 C60 71(3) . . ?
C62 C57 C54 84(4) . . ?
C60 C57 C54 105(3) . . ?
C62 C57 C59 55(3) . . ?
C60 C57 C59 108(3) . . ?
C54 C57 C59 36.6(15) . . ?
C62 C57 C58 58(3) . . ?
C60 C57 C58 18(2) . . ?
C54 C57 C58 90(2) . . ?
C59 C57 C58 90(2) . . ?
C60 C58 C56 111(5) . . ?
C60 C58 C62 56(4) . . ?
C56 C58 C62 119(3) . . ?
C60 C58 C55 100(4) . . ?
C56 C58 C55 40(2) . . ?
C62 C58 C55 80(2) . . ?
C60 C58 C57 32(4) . . ?
C56 C58 C57 104(3) . . ?
C62 C58 C57 30.0(14) . . ?
C55 C58 C57 76(2) . . ?
C54 C59 C61 53(2) . . ?
C54 C59 C62 94(3) . . ?
C61 C59 C62 94(3) . . ?
C54 C59 C57 69(3) . . ?
C61 C59 C57 94(3) . . ?
C62 C59 C57 32.2(18) . . ?
C54 C59 C55 48(2) . . ?
C61 C59 C55 23(2) . . ?
C62 C59 C55 73(2) . . ?
C57 C59 C55 71.1(19) . . ?
C58 C60 C57 129(5) . . ?
C58 C60 C62 96(5) . . ?
C57 C60 C62 42(2) . . ?
C58 C60 C56 42(3) . . ?
C57 C60 C56 114(3) . . ?
C62 C60 C56 108(3) . . ?
C58 C60 C55 57(4) . . ?
C57 C60 C55 83(3) . . ?
C62 C60 C55 77(2) . . ?
C56 C60 C55 33.9(14) . . ?
C55 C61 C54 96(4) . . ?
C55 C61 C59 128(5) . . ?
C54 C61 C59 56(3) . . ?
C55 C61 C53 71(4) . . ?
C54 C61 C53 54(3) . . ?
C59 C61 C53 109(4) . . ?
C55 C61 C62 84(4) . . ?
C54 C61 C62 69(3) . . ?
C59 C61 C62 47(2) . . ?
C53 C61 C62 113(3) . . ?
C55 C61 C56 14(3) . . ?
C54 C61 C56 99(3) . . ?
C59 C61 C56 119(3) . . ?
C53 C61 C56 84(3) . . ?
C62 C61 C56 72.6(17) . . ?
C57 C62 C60 67(3) . . ?
C57 C62 C59 93(4) . . ?
C60 C62 C59 129(3) . . ?
C57 C62 C58 92(4) . . ?
C60 C62 C58 28(2) . . ?
C59 C62 C58 116(3) . . ?
C57 C62 C54 65(3) . . ?
C60 C62 C54 96(2) . . ?
C59 C62 C54 35.8(15) . . ?
C58 C62 C54 94(2) . . ?
C57 C62 C61 93(3) . . ?
C60 C62 C61 93(2) . . ?
C59 C62 C61 38.9(18) . . ?
C58 C62 C61 78(2) . . ?
C54 C62 C61 31.4(13) . . ?
C55 C63 C56 45(2) . . ?
C55 C63 C53 53(2) . . ?
C56 C63 C53 93(2) . . ?
F2B F1 B1A 96.9(18) . . ?
F2B F1 F1B 132.4(16) . . ?
B1A F1 F1B 54.1(15) . . ?
F2B F1 B1 53.1(11) . . ?
B1A F1 B1 43.8(13) . . ?
F1B F1 B1 90.1(16) . . ?
F2B F1A F2A 90.2(17) . . ?
F2B F1A B1 49.7(12) . . ?
F2A F1A B1 50.9(11) . . ?
F4 F2 B1A 104.2(19) . . ?
F4 F2 B1 68.7(14) . . ?
B1A F2 B1 39.2(11) . . ?
F3A F2A B1 70.7(15) . . ?
F3A F2A F1A 133.7(19) . . ?
B1 F2A F1A 68.1(17) . . ?
F3A F2A F2B 95.3(15) . . ?
B1 F2A F2B 39.2(13) . . ?
F1A F2A F2B 38.5(9) . . ?
F3A F2A B1A 49.9(11) . . ?
B1 F2A B1A 20.8(13) . . ?
F1A F2A B1A 87.9(15) . . ?
F2B F2A B1A 54.2(11) . . ?
F3A F3 B1A 76.0(15) . . ?
F3A F3 F4B 120.2(17) . . ?
B1A F3 F4B 45.3(15) . . ?
F3A F3 B1 46.6(10) . . ?
B1A F3 B1 29.7(11) . . ?
F4B F3 B1 74.9(14) . . ?
F3 F3A F2A 156.2(18) . . ?
F3 F3A B1 100.0(15) . . ?
F2A F3A B1 56.7(13) . . ?
F3 F3A B1A 62.4(13) . . ?
F2A F3A B1A 94.6(16) . . ?
B1 F3A B1A 37.9(10) . . ?
F2 F4 B1 77.8(16) . . ?
F2 F4 B1A 49.5(14) . . ?
B1 F4 B1A 32.0(11) . . ?
F4B F1B B1A 69(2) . . ?
F4B F1B F1 114(3) . . ?
B1A F1B F1 61.0(18) . . ?
F4B F1B B1 94(3) . . ?
B1A F1B B1 25.3(18) . . ?
F1 F1B B1 48.0(11) . . ?
F1A F2B B1 82(2) . . ?
F1A F2B F1 156(2) . . ?
B1 F2B F1 73.4(17) . . ?
F1A F2B B1A 113.2(19) . . ?
B1 F2B B1A 31.0(14) . . ?
F1 F2B B1A 42.4(10) . . ?
F1A F2B F2A 51.3(12) . . ?
B1 F2B F2A 43.4(14) . . ?
F1 F2B F2A 107.6(15) . . ?
B1A F2B F2A 69.7(14) . . ?
F1B F4B B1A 57(2) . . ?
F1B F4B F3 110(3) . . ?
B1A F4B F3 56(2) . . ?
B1A B1 F2B 112(3) . . ?
B1A B1 F2A 132(3) . . ?
F2B B1 F2A 97(2) . . ?
B1A B1 F1 58(2) . . ?
F2B B1 F1 53.5(13) . . ?
F2A B1 F1 134(2) . . ?
B1A B1 F4 98(3) . . ?
F2B B1 F4 117(2) . . ?
F2A B1 F4 101.2(18) . . ?
F1 B1 F4 123.2(17) . . ?
B1A B1 F3A 80(2) . . ?
F2B B1 F3A 122(2) . . ?
F2A B1 F3A 52.6(12) . . ?
F1 B1 F3A 109.2(16) . . ?
F4 B1 F3A 116.3(17) . . ?
B1A B1 F2 68(2) . . ?
F2B B1 F2 141(2) . . ?
F2A B1 F2 111.2(19) . . ?
F1 B1 F2 112.9(18) . . ?
F4 B1 F2 33.5(8) . . ?
F3A B1 F2 96.1(15) . . ?
B1A B1 F1A 160(3) . . ?
F2B B1 F1A 48.1(15) . . ?
F2A B1 F1A 61.0(16) . . ?
F1 B1 F1A 101.6(18) . . ?
F4 B1 F1A 92.8(16) . . ?
F3A B1 F1A 110.5(18) . . ?
F2 B1 F1A 126.0(18) . . ?
B1A B1 F1B 29(2) . . ?
F2B B1 F1B 90.6(18) . . ?
F2A B1 F1B 160(2) . . ?
F1 B1 F1B 41.9(10) . . ?
F4 B1 F1B 91.2(15) . . ?
F3A B1 F1B 108.0(18) . . ?
F2 B1 F1B 71.6(13) . . ?
F1A B1 F1B 134.5(18) . . ?
B1A B1 F3 46.5(19) . . ?
F2B B1 F3 123.0(18) . . ?
F2A B1 F3 86.0(15) . . ?
F1 B1 F3 84.1(13) . . ?
F4 B1 F3 117.8(17) . . ?
F3A B1 F3 33.5(8) . . ?
F2 B1 F3 86.0(13) . . ?
F1A B1 F3 139.4(16) . . ?
F1B B1 F3 74.5(13) . . ?
B1 B1A F1B 126(4) . . ?
B1 B1A F1 78(3) . . ?
F1B B1A F1 64.9(19) . . ?
B1 B1A F4B 174(4) . . ?
F1B B1A F4B 54(2) . . ?
F1 B1A F4B 105(3) . . ?
B1 B1A F3 104(3) . . ?
F1B B1A F3 128(3) . . ?
F1 B1A F3 116.9(19) . . ?
F4B B1A F3 79(2) . . ?
B1 B1A F2 73(2) . . ?
F1B B1A F2 101(2) . . ?
F1 B1A F2 130(2) . . ?
F4B B1A F2 101(3) . . ?
F3 B1A F2 109.4(19) . . ?
B1 B1A F3A 62(2) . . ?
F1B B1A F3A 166(3) . . ?
F1 B1A F3A 110(2) . . ?
F4B B1A F3A 120(3) . . ?
F3 B1A F3A 41.7(9) . . ?
F2 B1A F3A 91.6(17) . . ?
B1 B1A F2B 37.4(18) . . ?
F1B B1A F2B 97(2) . . ?
F1 B1A F2B 40.7(11) . . ?
F4B B1A F2B 146(3) . . ?
F3 B1A F2B 116.4(18) . . ?
F2 B1A F2B 101.5(19) . . ?
F3A B1A F2B 84.8(16) . . ?
B1 B1A F4 49.8(18) . . ?
F1B B1A F4 104(2) . . ?
F1 B1A F4 106.6(19) . . ?
F4B B1A F4 124(2) . . ?
F3 B1A F4 122.2(19) . . ?
F2 B1A F4 26.4(7) . . ?
F3A B1A F4 89.6(16) . . ?
F2B B1A F4 75.1(14) . . ?
B1 B1A F2A 27.0(18) . . ?
F1B B1A F2A 152(3) . . ?
F1 B1A F2A 93(2) . . ?
F4B B1A F2A 154(3) . . ?
F3 B1A F2A 77.0(14) . . ?
F2 B1A F2A 78.9(15) . . ?
F3A B1A F2A 35.5(9) . . ?
F2B B1A F2A 56.1(13) . . ?
F4 B1A F2A 64.1(12) . . ?
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 N2 2.063(5) . ?
Cu1 N1 2.176(5) . ?
Cu1 P1 2.2505(18) . ?
Cu1 P2 2.2564(19) . ?
P1 C7 1.795(7) . ?
P1 C1 1.812(7) . ?
P1 C13 1.813(6) . ?
P2 C19 1.772(8) . ?
P2 C31A 1.791(13) . ?
P2 C25 1.798(6) . ?
P2 C31 1.883(14) . ?
N1 C37 1.330(7) . ?
N1 C41 1.347(7) . ?
N2 C42 1.318(6) . ?
N2 C48 1.384(7) . ?
N3 C42 1.374(6) . ?
N3 C43 1.394(7) . ?
N3 C49 1.435(7) . ?
C1 C6 1.355(9) . ?
C1 C2 1.364(9) . ?
C2 C3 1.407(10) . ?
C3 C4 1.368(12) . ?
C4 C5 1.344(13) . ?
C5 C6 1.397(11) . ?
C7 C8 1.344(9) . ?
C7 C12 1.380(9) . ?
C8 C9 1.386(11) . ?
C9 C10 1.355(12) . ?
C10 C11 1.356(12) . ?
C11 C12 1.372(10) . ?
C13 C14 1.336(8) . ?
C13 C18 1.375(7) . ?
C14 C15 1.386(9) . ?
C15 C16 1.334(9) . ?
C16 C17 1.322(9) . ?
C17 C18 1.400(8) . ?
C19 C24 1.366(10) . ?
C19 C20 1.367(9) . ?
C20 C21 1.399(12) . ?
C21 C22 1.343(17) . ?
C22 C23 1.32(2) . ?
C23 C24 1.394(17) . ?
C25 C26 1.349(9) . ?
C25 C30 1.386(8) . ?
C26 C27 1.362(11) . ?
C27 C28 1.333(12) . ?
C28 C29 1.334(11) . ?
C29 C30 1.359(9) . ?
C31 C31A 0.668(17) . ?
C31 C32B 1.26(3) . ?
C31 C36A 1.355(17) . ?
C31 C36 1.52(2) . ?
C31 C32 1.52(3) . ?
C31 C32A 1.64(2) . ?
C31A C36 1.304(15) . ?
C31A C32A 1.449(16) . ?
C31A C36A 1.48(2) . ?
C31A C32B 1.59(3) . ?
C32 C32B 0.94(3) . ?
C32 C33 1.34(3) . ?
C32 C33B 1.95(4) . ?
C32A C32B 1.16(3) . ?
C32A C33A 1.415(16) . ?
C32A C33B 1.73(3) . ?
C32B C33B 1.44(4) . ?
C32B C33 1.69(4) . ?
C32B C33A 1.86(4) . ?
C33 C33B 1.49(4) . ?
C33 C34 1.59(3) . ?
C33 C33 1.64(5) 2_455 ?
C33A C33B 1.03(3) . ?
C33A C34A 1.371(17) . ?
C33A C34 1.99(3) . ?
C33B C34 1.35(3) . ?
C33B C34A 1.48(3) . ?
C34 C34A 1.18(2) . ?
C34 C35A 1.32(2) . ?
C34 C35 1.78(3) . ?
C34A C35 1.319(19) . ?
C34A C35A 1.45(2) . ?
C35 C35A 0.76(2) . ?
C35 C36 1.400(18) . ?
C35 C36A 1.54(2) . ?
C35A C36A 1.390(19) . ?
C35A C36 1.61(2) . ?
C36 C36A 0.713(17) . ?
C37 C38 1.372(9) . ?
C38 C39 1.397(10) . ?
C39 C40 1.371(9) . ?
C40 C41 1.380(8) . ?
C41 C42 1.444(7) . ?
C43 C48 1.373(7) . ?
C43 C44 1.377(8) . ?
C44 C45 1.381(9) . ?
C45 C46 1.391(10) . ?
C46 C47 1.363(9) . ?
C47 C48 1.404(8) . ?
C49 C52 1.396(8) . ?
C49 C51 1.401(7) . ?
C50 C52 1.374(7) . ?
C50 C52 1.374(7) 2 ?
C51 C49 1.401(7) 2 ?
C53 C54 1.09(3) . ?
C53 C61 1.31(4) . ?
C53 C55 1.37(4) . ?
C53 C63 1.66(4) . ?
C54 C61 1.03(4) . ?
C54 C59 1.08(4) . ?
C54 C55 1.50(5) . ?
C54 C57 1.69(4) . ?
C54 C62 1.85(4) . ?
C55 C61 0.99(5) . ?
C55 C56 1.08(4) . ?
C55 C63 1.33(4) . ?
C55 C58 1.66(4) . ?
C55 C60 1.94(5) . ?
C55 C59 2.00(5) . ?
C56 C58 1.14(3) . ?
C56 C63 1.50(4) . ?
C56 C60 1.58(4) . ?
C56 C61 2.02(5) . ?
C57 C62 0.94(4) . ?
C57 C60 1.29(4) . ?
C57 C59 1.75(5) . ?
C57 C58 1.87(5) . ?
C58 C60 0.76(4) . ?
C58 C62 1.59(4) . ?
C59 C61 1.23(4) . ?
C59 C62 1.43(3) . ?
C60 C62 1.32(4) . ?
C61 C62 1.95(5) . ?
F1 F2B 1.099(16) . ?
F1 B1A 1.14(2) . ?
F1 F1B 1.18(2) . ?
F1 B1 1.31(2) . ?
F1A F2B 1.066(19) . ?
F1A F2A 1.34(2) . ?
F1A B1 1.42(3) . ?
F2 F4 0.794(13) . ?
F2 B1A 1.36(2) . ?
F2 B1 1.40(2) . ?
F2A F3A 1.127(17) . ?
F2A B1 1.19(2) . ?
F2A F2B 1.71(2) . ?
F2A B1A 1.94(3) . ?
F3 F3A 1.018(12) . ?
F3 B1A 1.36(2) . ?
F3 F4B 1.61(3) . ?
F3 B1 1.82(2) . ?
F3A B1 1.34(2) . ?
F3A B1A 1.49(3) . ?
F4 B1 1.339(19) . ?
F4 B1A 1.73(3) . ?
F1B F4B 1.01(3) . ?
F1B B1A 1.05(3) . ?
F1B B1 1.76(3) . ?
F2B B1 1.09(2) . ?
F2B B1A 1.67(3) . ?
F4B B1A 1.16(3) . ?
B1 B1A 0.93(2) . ?
