#------------------------------------------------------------------------------
#$Date: 2016-03-21 16:44:31 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178752 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/06/4100603.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_4100603
loop_
_publ_author_name
'Zhang, Jie-Peng'
'Lin, Yan-Yong'
'Huang, Xiao-Chun'
'Chen, Xiao-Ming'
_publ_section_title
;
Copper(I) 1,2,4-Triazolates and Related Complexes:
Studies of the Solvothermal Ligand Reactions, Network
Topologies, and Photoluminescence Properties
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/ja042222t
_journal_year                    2005
_chemical_formula_sum            'C84 H60 Cu6 N18'
_chemical_formula_weight         1702.74
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 108.778(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.7158(6)
_cell_length_b                   21.8620(8)
_cell_length_c                   23.7775(9)
_cell_measurement_temperature    293(2)
_cell_volume                     7734.6(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.462
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4100603
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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 0.24027(4) 0.74140(2) 0.20986(3) 0.06784(16) Uani 1 1 d . . .
Cu2 Cu 0.13979(4) 0.49271(2) 0.24656(2) 0.06653(16) Uani 1 1 d . . .
Cu3 Cu 0.01214(4) 0.43076(3) 0.32881(3) 0.07948(18) Uani 1 1 d . . .
Cu4 Cu -0.05042(4) 0.55813(3) 0.16474(3) 0.07557(17) Uani 1 1 d . . .
Cu5 Cu -0.03275(4) 0.55820(3) 0.30079(3) 0.07892(18) Uani 1 1 d . . .
Cu6 Cu -0.10785(4) 0.42308(3) 0.19329(3) 0.08352(19) Uani 1 1 d . . .
N1 N -0.1481(3) 0.56283(19) 0.24591(19) 0.0817(11) Uani 1 1 d . . .
N2 N -0.1577(3) 0.57128(18) 0.18590(19) 0.0792(10) Uani 1 1 d . . .
N3 N -0.2927(3) 0.5540(2) 0.1957(2) 0.0924(13) Uani 1 1 d . . .
N4 N -0.1591(3) 0.3982(2) 0.2506(2) 0.0870(11) Uani 1 1 d . . .
N5 N -0.1092(3) 0.4033(2) 0.30924(19) 0.0826(11) Uani 1 1 d . . .
N6 N -0.2242(4) 0.3415(2) 0.3023(3) 0.1046(14) Uani 1 1 d . . .
N7 N -0.0480(3) 0.43323(17) 0.13809(18) 0.0820(11) Uani 1 1 d . . .
N8 N -0.0182(3) 0.48866(17) 0.12380(17) 0.0756(10) Uani 1 1 d . . .
N9 N 0.0526(4) 0.4135(2) 0.09308(19) 0.0965(13) Uani 1 1 d . . .
N10 N 0.1484(3) 0.40918(14) 0.26569(15) 0.0670(9) Uani 1 1 d . . .
N11 N 0.0863(3) 0.37870(14) 0.28501(16) 0.0671(9) Uani 1 1 d . . .
N12 N 0.1968(3) 0.31463(14) 0.28695(16) 0.0673(9) Uani 1 1 d . . .
N13 N 0.1012(3) 0.48863(17) 0.37246(16) 0.0765(10) Uani 1 1 d . . .
N14 N 0.0816(3) 0.54930(16) 0.35615(15) 0.0690(9) Uani 1 1 d . . .
N15 N 0.2243(3) 0.5440(2) 0.41423(18) 0.0828(11) Uani 1 1 d . . .
N16 N 0.1403(2) 0.57593(13) 0.22749(15) 0.0607(8) Uani 1 1 d . . .
N17 N 0.0616(2) 0.60739(14) 0.20098(15) 0.0634(8) Uani 1 1 d . . .
N18 N 0.1765(2) 0.66862(13) 0.20620(16) 0.0631(8) Uani 1 1 d . . .
C1 C -0.2299(4) 0.5524(3) 0.2493(2) 0.0890(15) Uani 1 1 d . . .
C2 C -0.2468(4) 0.5371(3) 0.3056(3) 0.0999(18) Uani 1 1 d . . .
C3 C -0.3016(4) 0.4881(4) 0.3073(3) 0.110(2) Uani 1 1 d . . .
H3A H -0.3304 0.4663 0.2729 0.132 Uiso 1 1 calc R . .
C4 C -0.3135(6) 0.4715(4) 0.3611(4) 0.136(3) Uani 1 1 d . . .
H4A H -0.3484 0.4377 0.3628 0.163 Uiso 1 1 calc R . .
C5 C -0.2739(8) 0.5051(6) 0.4112(5) 0.177(4) Uani 1 1 d U . .
H5A H -0.2831 0.4950 0.4468 0.212 Uiso 1 1 calc R . .
C6 C -0.2193(9) 0.5551(6) 0.4085(4) 0.190(5) Uani 1 1 d . . .
H6A H -0.1918 0.5780 0.4424 0.228 Uiso 1 1 calc R . .
C7 C -0.2064(7) 0.5700(5) 0.3564(4) 0.170(4) Uani 1 1 d . . .
H7A H -0.1697 0.6030 0.3551 0.204 Uiso 1 1 calc R . .
C8 C -0.2454(4) 0.5666(2) 0.1590(2) 0.0829(13) Uani 1 1 d . . .
C9 C -0.2867(4) 0.5766(3) 0.0945(2) 0.0890(15) Uani 1 1 d . . .
C10 C -0.3726(5) 0.5552(3) 0.0660(3) 0.119(2) Uani 1 1 d . . .
H10A H -0.4042 0.5336 0.0866 0.142 Uiso 1 1 calc R . .
C11 C -0.4102(7) 0.5668(5) 0.0058(4) 0.155(3) Uani 1 1 d . . .
H11A H -0.4669 0.5512 -0.0143 0.186 Uiso 1 1 calc R . .
C12 C -0.3669(8) 0.6003(6) -0.0252(4) 0.160(4) Uani 1 1 d . . .
H12A H -0.3950 0.6088 -0.0652 0.192 Uiso 1 1 calc R . .
C13 C -0.2837(7) 0.6206(5) 0.0026(4) 0.159(3) Uani 1 1 d . . .
H13A H -0.2526 0.6417 -0.0187 0.191 Uiso 1 1 calc R . .
C14 C -0.2429(5) 0.6103(4) 0.0638(3) 0.126(2) Uani 1 1 d . . .
H14A H -0.1863 0.6264 0.0833 0.151 Uiso 1 1 calc R . .
C15 C -0.2277(4) 0.3608(3) 0.2487(3) 0.1002(17) Uani 1 1 d . . .
C16 C -0.2948(5) 0.3426(3) 0.1917(4) 0.118(2) Uani 1 1 d . . .
C17 C -0.3359(7) 0.2866(5) 0.1876(5) 0.179(4) Uani 1 1 d . . .
H17A H -0.3228 0.2601 0.2199 0.215 Uiso 1 1 calc R . .
C18 C -0.3990(9) 0.2708(7) 0.1323(7) 0.212(6) Uani 1 1 d . . .
H18A H -0.4333 0.2355 0.1293 0.254 Uiso 1 1 calc R . .
C19 C -0.4109(9) 0.3058(8) 0.0836(7) 0.212(6) Uani 1 1 d . . .
H19A H -0.4450 0.2913 0.0463 0.254 Uiso 1 1 calc R . .
C20 C -0.3742(6) 0.3598(6) 0.0890(5) 0.177(4) Uani 1 1 d . . .
H20A H -0.3877 0.3855 0.0560 0.213 Uiso 1 1 calc R . .
C21 C -0.3157(5) 0.3799(4) 0.1426(4) 0.148(3) Uani 1 1 d . . .
H21A H -0.2905 0.4188 0.1454 0.177 Uiso 1 1 calc R . .
C22 C -0.1502(4) 0.3691(3) 0.3388(3) 0.0943(16) Uani 1 1 d . . .
C23 C -0.1173(4) 0.3629(3) 0.4044(3) 0.1010(17) Uani 1 1 d . . .
C24 C -0.1297(5) 0.3097(4) 0.4306(4) 0.125(2) Uani 1 1 d . . .
H24A H -0.1598 0.2770 0.4077 0.150 Uiso 1 1 calc R . .
C25 C -0.0960(6) 0.3047(5) 0.4932(5) 0.146(3) Uani 1 1 d . . .
H25A H -0.1050 0.2696 0.5127 0.175 Uiso 1 1 calc R . .
C26 C -0.0498(8) 0.3537(6) 0.5238(5) 0.159(3) Uani 1 1 d . . .
H26A H -0.0248 0.3501 0.5649 0.191 Uiso 1 1 calc R . .
C27 C -0.0381(7) 0.4055(5) 0.4995(3) 0.143(3) Uani 1 1 d . . .
H27A H -0.0079 0.4379 0.5228 0.172 Uiso 1 1 calc R . .
C28 C -0.0708(6) 0.4109(4) 0.4395(3) 0.135(3) Uani 1 1 d . . .
H28A H -0.0622 0.4471 0.4216 0.162 Uiso 1 1 calc R . .
C29 C -0.0038(4) 0.3903(3) 0.1191(2) 0.0912(15) Uani 1 1 d . . .
C30 C -0.0227(6) 0.3240(3) 0.1257(3) 0.109(2) Uani 1 1 d . . .
C31 C 0.0454(7) 0.2834(3) 0.1367(3) 0.150(3) Uani 1 1 d . . .
H31A H 0.1029 0.2964 0.1395 0.181 Uiso 1 1 calc R . .
C32 C 0.0282(9) 0.2198(4) 0.1441(4) 0.159(4) Uani 1 1 d . . .
H32A H 0.0738 0.1907 0.1521 0.191 Uiso 1 1 calc R . .
C33 C -0.0571(11) 0.2044(5) 0.1388(5) 0.183(5) Uani 1 1 d U . .
H33A H -0.0689 0.1632 0.1430 0.220 Uiso 1 1 calc R . .
C34 C -0.1262(9) 0.2433(4) 0.1280(4) 0.156(4) Uani 1 1 d . . .
H34A H -0.1835 0.2299 0.1256 0.187 Uiso 1 1 calc R . .
C35 C -0.1091(7) 0.3045(3) 0.1205(3) 0.127(3) Uani 1 1 d . . .
H35A H -0.1558 0.3327 0.1119 0.152 Uiso 1 1 calc R . .
C36 C 0.0413(4) 0.4744(3) 0.0969(2) 0.0831(13) Uani 1 1 d . . .
C37 C 0.0896(4) 0.5181(3) 0.0718(2) 0.0914(15) Uani 1 1 d . . .
C38 C 0.1620(6) 0.5009(4) 0.0566(4) 0.144(3) Uani 1 1 d . . .
H38A H 0.1814 0.4606 0.0625 0.173 Uiso 1 1 calc R . .
C39 C 0.2080(7) 0.5421(7) 0.0325(4) 0.179(5) Uani 1 1 d . . .
H39A H 0.2583 0.5291 0.0233 0.215 Uiso 1 1 calc R . .
C40 C 0.1805(8) 0.6009(6) 0.0222(4) 0.158(4) Uani 1 1 d . . .
H40A H 0.2119 0.6284 0.0064 0.190 Uiso 1 1 calc R . .
C41 C 0.1078(7) 0.6188(4) 0.0350(3) 0.135(3) Uani 1 1 d . . .
H41A H 0.0880 0.6590 0.0280 0.161 Uiso 1 1 calc R . .
C42 C 0.0610(5) 0.5773(3) 0.0590(3) 0.111(2) Uani 1 1 d . . .
H42A H 0.0093 0.5902 0.0665 0.134 Uiso 1 1 calc R . .
C43 C 0.2133(3) 0.37019(17) 0.26656(18) 0.0643(10) Uani 1 1 d . . .
C44 C 0.2929(3) 0.38617(17) 0.2495(2) 0.0706(11) Uani 1 1 d . . .
C45 C 0.3771(4) 0.3648(2) 0.2814(3) 0.0886(14) Uani 1 1 d . . .
H45A H 0.3843 0.3400 0.3144 0.106 Uiso 1 1 calc R . .
C46 C 0.4504(4) 0.3801(3) 0.2647(3) 0.109(2) Uani 1 1 d . . .
H46A H 0.5068 0.3649 0.2861 0.131 Uiso 1 1 calc R . .
C47 C 0.4412(5) 0.4171(3) 0.2173(4) 0.114(2) Uani 1 1 d . . .
H47A H 0.4913 0.4273 0.2065 0.137 Uiso 1 1 calc R . .
C48 C 0.3585(5) 0.4395(3) 0.1853(3) 0.1004(18) Uani 1 1 d . . .
H48A H 0.3525 0.4651 0.1531 0.120 Uiso 1 1 calc R . .
C49 C 0.2838(4) 0.4239(2) 0.2011(2) 0.0801(13) Uani 1 1 d . . .
H49A H 0.2274 0.4388 0.1793 0.096 Uiso 1 1 calc R . .
C50 C 0.1165(3) 0.32263(18) 0.29678(19) 0.0679(11) Uani 1 1 d . . .
C51 C 0.0692(4) 0.27433(19) 0.3185(2) 0.0773(13) Uani 1 1 d . . .
C52 C -0.0216(4) 0.2665(2) 0.2924(3) 0.0951(16) Uani 1 1 d . . .
H52A H -0.0528 0.2910 0.2604 0.114 Uiso 1 1 calc R . .
C53 C -0.0671(5) 0.2228(3) 0.3131(4) 0.131(3) Uani 1 1 d . . .
H53A H -0.1286 0.2176 0.2949 0.157 Uiso 1 1 calc R . .
C54 C -0.0219(8) 0.1870(3) 0.3601(5) 0.152(4) Uani 1 1 d . . .
H54A H -0.0530 0.1582 0.3748 0.182 Uiso 1 1 calc R . .
C55 C 0.0665(7) 0.1932(3) 0.3852(4) 0.131(3) Uani 1 1 d . . .
H55A H 0.0967 0.1681 0.4170 0.157 Uiso 1 1 calc R . .
C56 C 0.1151(5) 0.2369(2) 0.3646(3) 0.0948(16) Uani 1 1 d . . .
H56A H 0.1770 0.2404 0.3819 0.114 Uiso 1 1 calc R . .
C57 C 0.1868(4) 0.4887(2) 0.4070(2) 0.0786(13) Uani 1 1 d . . .
C58 C 0.2374(5) 0.4325(3) 0.4338(3) 0.109(2) Uani 1 1 d . . .
C59 C 0.3309(6) 0.4347(5) 0.4510(4) 0.164(4) Uani 1 1 d . . .
H59A H 0.3597 0.4697 0.4440 0.197 Uiso 1 1 calc R . .
C60 C 0.3817(9) 0.3836(8) 0.4792(5) 0.214(6) Uani 1 1 d . . .
H60A H 0.4442 0.3829 0.4919 0.257 Uiso 1 1 calc R . .
C61 C 0.3305(11) 0.3343(6) 0.4864(5) 0.182(5) Uani 1 1 d U . .
H61A H 0.3626 0.2994 0.5029 0.218 Uiso 1 1 calc R . .
C62 C 0.2428(8) 0.3304(4) 0.4730(4) 0.149(3) Uani 1 1 d U . .
H62A H 0.2154 0.2955 0.4814 0.179 Uiso 1 1 calc R . .
C63 C 0.1915(6) 0.3825(3) 0.4450(3) 0.124(2) Uani 1 1 d U . .
H63A H 0.1292 0.3828 0.4347 0.149 Uiso 1 1 calc R . .
C64 C 0.1574(3) 0.5799(2) 0.3821(2) 0.0745(12) Uani 1 1 d . . .
C65 C 0.1683(4) 0.6456(2) 0.3762(2) 0.0830(13) Uani 1 1 d . . .
C66 C 0.2463(5) 0.6733(3) 0.4125(4) 0.126(2) Uani 1 1 d . . .
H66A H 0.2913 0.6502 0.4389 0.151 Uiso 1 1 calc R . .
C67 C 0.2560(8) 0.7361(4) 0.4086(5) 0.163(4) Uani 1 1 d . . .
H67A H 0.3075 0.7551 0.4333 0.196 Uiso 1 1 calc R . .
C68 C 0.1904(8) 0.7710(4) 0.3688(4) 0.144(3) Uani 1 1 d . . .
H68A H 0.1977 0.8131 0.3669 0.173 Uiso 1 1 calc R . .
C69 C 0.1165(7) 0.7440(3) 0.3332(3) 0.129(3) Uani 1 1 d . . .
H69A H 0.0727 0.7670 0.3057 0.155 Uiso 1 1 calc R . .
C70 C 0.1052(5) 0.6806(3) 0.3373(2) 0.0999(17) Uani 1 1 d . . .
H70A H 0.0531 0.6623 0.3128 0.120 Uiso 1 1 calc R . .
C71 C 0.2079(3) 0.61365(16) 0.23012(18) 0.0615(9) Uani 1 1 d . . .
C72 C 0.3026(3) 0.59527(17) 0.2534(2) 0.0702(11) Uani 1 1 d . . .
C73 C 0.3600(4) 0.6098(2) 0.2227(3) 0.0929(16) Uani 1 1 d . . .
H73A H 0.3397 0.6322 0.1877 0.112 Uiso 1 1 calc R . .
C74 C 0.4493(4) 0.5908(3) 0.2445(4) 0.120(2) Uani 1 1 d . . .
H74A H 0.4889 0.6015 0.2243 0.144 Uiso 1 1 calc R . .
C75 C 0.4787(4) 0.5571(3) 0.2943(4) 0.119(2) Uani 1 1 d . . .
H75A H 0.5380 0.5437 0.3077 0.143 Uiso 1 1 calc R . .
C76 C 0.4230(5) 0.5426(3) 0.3249(3) 0.1098(19) Uani 1 1 d . . .
H76A H 0.4441 0.5196 0.3595 0.132 Uiso 1 1 calc R . .
C77 C 0.3335(4) 0.5620(2) 0.3049(3) 0.0870(14) Uani 1 1 d . . .
H77A H 0.2951 0.5524 0.3264 0.104 Uiso 1 1 calc R . .
C78 C 0.0860(3) 0.66220(17) 0.18897(18) 0.0623(10) Uani 1 1 d . . .
C79 C 0.0188(3) 0.70927(18) 0.1583(2) 0.0681(10) Uani 1 1 d . . .
C80 C 0.0295(4) 0.7430(2) 0.1128(2) 0.0882(14) Uani 1 1 d . . .
H80A H 0.0811 0.7388 0.1020 0.106 Uiso 1 1 calc R . .
C81 C -0.0381(5) 0.7841(3) 0.0824(3) 0.117(2) Uani 1 1 d . . .
H81A H -0.0311 0.8069 0.0512 0.140 Uiso 1 1 calc R . .
C82 C -0.1124(5) 0.7911(3) 0.0973(3) 0.113(2) Uani 1 1 d . . .
H82A H -0.1574 0.8177 0.0758 0.136 Uiso 1 1 calc R . .
C83 C -0.1223(4) 0.7594(3) 0.1440(3) 0.1044(18) Uani 1 1 d . . .
H83A H -0.1728 0.7660 0.1554 0.125 Uiso 1 1 calc R . .
C84 C -0.0579(3) 0.7173(2) 0.1747(2) 0.0856(14) Uani 1 1 d . . .
H84A H -0.0659 0.6948 0.2058 0.103 Uiso 1 1 calc R . .
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 N18 1.868(3) . ?
Cu1 N12 1.870(3) 2 ?
Cu2 N16 1.876(3) . ?
Cu2 N10 1.876(3) . ?
Cu3 N5 1.908(4) . ?
Cu3 N13 1.924(4) . ?
Cu3 N11 2.126(3) . ?
Cu3 Cu5 2.8985(8) . ?
Cu4 N2 1.929(4) . ?
Cu4 N8 1.957(4) . ?
Cu4 N17 2.006(4) . ?
Cu5 N1 1.864(4) . ?
Cu5 N14 1.865(4) . ?
Cu6 N7 1.857(5) . ?
Cu6 N4 1.873(4) . ?
N1 C1 1.334(7) . ?
N1 N2 1.398(6) . ?
N2 C8 1.324(6) . ?
N3 C1 1.338(7) . ?
N3 C8 1.344(7) . ?
N4 C15 1.343(7) . ?
N4 N5 1.367(6) . ?
N5 C22 1.326(7) . ?
N6 C15 1.326(8) . ?
N6 C22 1.350(8) . ?
N7 C29 1.330(7) . ?
N7 N8 1.381(5) . ?
N8 C36 1.328(6) . ?
N9 C29 1.333(8) . ?
N9 C36 1.351(7) . ?
N10 C43 1.324(5) . ?
N10 N11 1.378(5) . ?
N11 C50 1.312(5) . ?
N12 C43 1.363(5) . ?
N12 C50 1.366(6) . ?
N12 Cu1 1.870(3) 2_545 ?
N13 C57 1.331(6) . ?
N13 N14 1.388(5) . ?
N14 C64 1.331(6) . ?
N15 C57 1.331(6) . ?
N15 C64 1.337(6) . ?
N16 C71 1.330(5) . ?
N16 N17 1.378(5) . ?
N17 C78 1.317(5) . ?
N18 C71 1.353(5) . ?
N18 C78 1.355(5) . ?
C1 C2 1.484(8) . ?
C2 C7 1.373(10) . ?
C2 C3 1.384(9) . ?
C3 C4 1.399(10) . ?
C4 C5 1.366(13) . ?
C5 C6 1.403(15) . ?
C6 C7 1.358(13) . ?
C8 C9 1.478(7) . ?
C9 C14 1.369(9) . ?
C9 C10 1.383(8) . ?
C10 C11 1.385(11) . ?
C11 C12 1.365(13) . ?
C12 C13 1.337(13) . ?
C13 C14 1.407(11) . ?
C15 C16 1.478(10) . ?
C16 C17 1.374(11) . ?
C16 C21 1.376(11) . ?
C17 C18 1.411(15) . ?
C18 C19 1.349(17) . ?
C19 C20 1.304(15) . ?
C20 C21 1.381(12) . ?
C22 C23 1.483(9) . ?
C23 C24 1.363(9) . ?
C23 C28 1.393(10) . ?
C24 C25 1.414(12) . ?
C25 C26 1.366(13) . ?
C26 C27 1.311(13) . ?
C27 C28 1.355(10) . ?
C29 C30 1.498(8) . ?
C30 C31 1.350(10) . ?
C30 C35 1.391(11) . ?
C31 C32 1.437(12) . ?
C32 C33 1.349(15) . ?
C33 C34 1.338(14) . ?
C34 C35 1.386(9) . ?
C36 C37 1.461(8) . ?
C37 C38 1.353(9) . ?
C37 C42 1.372(9) . ?
C38 C39 1.389(12) . ?
C39 C40 1.353(14) . ?
C40 C41 1.334(12) . ?
C41 C42 1.399(9) . ?
C43 C44 1.477(6) . ?
C44 C45 1.377(7) . ?
C44 C49 1.384(7) . ?
C45 C46 1.375(8) . ?
C46 C47 1.357(10) . ?
C47 C48 1.367(10) . ?
C48 C49 1.387(8) . ?
C50 C51 1.477(6) . ?
C51 C52 1.372(8) . ?
C51 C56 1.372(7) . ?
C52 C53 1.375(8) . ?
C53 C54 1.362(12) . ?
C54 C55 1.331(12) . ?
C55 C56 1.407(9) . ?
C57 C58 1.491(7) . ?
C58 C63 1.382(10) . ?
C58 C59 1.394(12) . ?
C59 C60 1.412(14) . ?
C60 C61 1.386(18) . ?
C61 C62 1.313(15) . ?
C62 C63 1.430(11) . ?
C64 C65 1.457(7) . ?
C65 C70 1.356(8) . ?
C65 C66 1.391(9) . ?
C66 C67 1.387(11) . ?
C67 C68 1.383(13) . ?
C68 C69 1.335(12) . ?
C69 C70 1.403(9) . ?
C71 C72 1.468(6) . ?
C72 C73 1.369(7) . ?
C72 C77 1.371(7) . ?
C73 C74 1.393(8) . ?
C74 C75 1.344(10) . ?
C75 C76 1.343(10) . ?
C76 C77 1.398(8) . ?
C78 C79 1.486(6) . ?
C79 C80 1.365(7) . ?
C79 C84 1.391(7) . ?
C80 C81 1.401(8) . ?
C81 C82 1.333(9) . ?
C82 C83 1.358(9) . ?
C83 C84 1.390(7) . ?
