#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/03/4300387.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_4300387
_journal_name_full               'Inorganic Chemistry'
_journal_year                    2006
_chemical_formula_sum            'C48 H44 Cu2 I2 N6 P2 S4'
_chemical_formula_weight         1275.95
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                102.6730(10)
_cell_angle_beta                 114.9700(10)
_cell_angle_gamma                103.4670(10)
_cell_formula_units_Z            3
_cell_length_a                   16.3959(10)
_cell_length_b                   16.7222(10)
_cell_length_c                   17.2373(11)
_cell_measurement_temperature    293(2)
_cell_volume                     3886.6(4)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.635
_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               4300387
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
Cu1B Cu 0.08503(3) 0.87607(3) 0.30198(3) 0.04267(9) Uani 1 1 d . . .
Cu Cu -0.44137(3) 0.42989(3) 0.00407(3) 0.04403(9) Uani 1 1 d . . .
Cu1A Cu 0.23445(3) 0.77707(3) 0.36795(3) 0.04208(9) Uani 1 1 d . . .
I I -0.371586(13) 0.611262(12) 0.105678(14) 0.04102(5) Uani 1 1 d . . .
I1A I 0.278172(14) 0.953419(13) 0.428609(14) 0.04198(5) Uani 1 1 d . . .
I1B I 0.043999(13) 0.701901(13) 0.241132(13) 0.04022(5) Uani 1 1 d . . .
S1 S -0.38307(5) 0.41267(5) -0.09945(5) 0.04341(18) Uani 1 1 d . . .
S2 S 0.09530(7) 0.48053(8) 0.16070(7) 0.0687(3) Uani 1 1 d . . .
S1A S 0.30445(6) 0.72734(6) 0.28340(6) 0.04702(19) Uani 1 1 d . . .
S2A S 0.71566(8) 0.99817(6) 0.32285(8) 0.0692(3) Uani 1 1 d . . .
S1B S 0.02458(6) 0.92779(5) 0.39481(6) 0.04475(18) Uani 1 1 d . . .
S2B S -0.38144(8) 0.66304(7) 0.37029(8) 0.0683(3) Uani 1 1 d . . .
P P -0.39709(5) 0.37091(5) 0.11450(5) 0.03780(17) Uani 1 1 d . . .
P1A P 0.26370(5) 0.73647(5) 0.49153(5) 0.03622(16) Uani 1 1 d . . .
P1B P 0.05623(5) 0.92299(5) 0.18291(5) 0.03651(16) Uani 1 1 d . . .
N1 N -0.21314(19) 0.52059(18) 0.04634(19) 0.0498(7) Uani 1 1 d . . .
H1A H -0.1515 0.5372 0.0800 0.060 Uiso 1 1 calc R . .
H1B H -0.2437 0.5503 0.0618 0.060 Uiso 1 1 calc R . .
N2 N -0.20935(18) 0.40586(18) -0.04963(18) 0.0468(6) Uani 1 1 d . . .
H2B H -0.2360 0.3635 -0.1015 0.056 Uiso 1 1 calc R . .
N3 N -0.11271(17) 0.42979(18) 0.01358(18) 0.0444(6) Uani 1 1 d . . .
N1A N 0.4452(2) 0.88747(19) 0.3695(2) 0.0609(9) Uani 1 1 d . . .
H1AA H 0.4986 0.9243 0.3804 0.073 Uiso 1 1 calc R . .
H1AB H 0.4149 0.9039 0.3963 0.073 Uiso 1 1 calc R . .
N2A N 0.46108(18) 0.78449(17) 0.27211(18) 0.0460(6) Uani 1 1 d . . .
H2AB H 0.4444 0.7308 0.2385 0.055 Uiso 1 1 calc R . .
N3A N 0.54058(18) 0.84961(17) 0.28599(18) 0.0439(6) Uani 1 1 d . . .
N1B N -0.1166(2) 0.76945(18) 0.3136(2) 0.0557(8) Uani 1 1 d . . .
H1BA H -0.1681 0.7326 0.3061 0.067 Uiso 1 1 calc R . .
H1BB H -0.0901 0.7533 0.2824 0.067 Uiso 1 1 calc R . .
N2B N -0.12319(18) 0.87196(17) 0.41990(18) 0.0430(6) Uani 1 1 d . . .
H2BB H -0.1033 0.9252 0.4563 0.052 Uiso 1 1 calc R . .
N3B N -0.20116(17) 0.80756(17) 0.40877(18) 0.0417(6) Uani 1 1 d . . .
C1 C -0.2610(2) 0.4494(2) -0.0292(2) 0.0369(6) Uani 1 1 d . . .
C2 C -0.0673(2) 0.3861(2) -0.0108(2) 0.0432(7) Uani 1 1 d . . .
H2A H -0.0989 0.3434 -0.0692 0.052 Uiso 1 1 calc R . .
C3 C 0.0314(2) 0.4026(2) 0.0512(2) 0.0432(7) Uani 1 1 d . . .
C4 C 0.0876(2) 0.3597(2) 0.0350(3) 0.0515(8) Uani 1 1 d . . .
H4A H 0.0659 0.3154 -0.0202 0.062 Uiso 1 1 calc R . .
C5 C 0.1814(3) 0.3897(3) 0.1105(3) 0.0637(10) Uani 1 1 d . . .
H5A H 0.2283 0.3673 0.1105 0.076 Uiso 1 1 calc R . .
C6 C 0.1960(3) 0.4542(3) 0.1827(3) 0.0717(12) Uani 1 1 d . . .
H6A H 0.2540 0.4814 0.2382 0.086 Uiso 1 1 calc R . .
C11 C -0.3943(2) 0.2597(2) 0.0818(2) 0.0437(7) Uani 1 1 d . . .
C12 C -0.4564(3) 0.2042(3) -0.0086(3) 0.0753(13) Uani 1 1 d . . .
H12A H -0.4967 0.2242 -0.0500 0.090 Uiso 1 1 calc R . .
C13 C -0.4593(4) 0.1191(3) -0.0382(3) 0.0999(18) Uani 1 1 d . . .
H13A H -0.5024 0.0820 -0.0988 0.120 Uiso 1 1 calc R . .
C14 C -0.3991(4) 0.0893(3) 0.0214(3) 0.0787(13) Uani 1 1 d . . .
H14A H -0.4009 0.0323 0.0010 0.094 Uiso 1 1 calc R . .
C15 C -0.3365(3) 0.1433(3) 0.1108(3) 0.0638(10) Uani 1 1 d . . .
H15A H -0.2958 0.1231 0.1513 0.077 Uiso 1 1 calc R . .
C16 C -0.3337(3) 0.2289(2) 0.1412(3) 0.0520(8) Uani 1 1 d . . .
H16A H -0.2907 0.2656 0.2020 0.062 Uiso 1 1 calc R . .
C21 C -0.2749(2) 0.4362(2) 0.2117(2) 0.0418(7) Uani 1 1 d . . .
C22 C -0.1962(2) 0.4362(2) 0.1990(2) 0.0514(8) Uani 1 1 d . . .
H22A H -0.2063 0.3981 0.1449 0.062 Uiso 1 1 calc R . .
C23 C -0.1031(3) 0.4927(3) 0.2665(3) 0.0643(10) Uani 1 1 d . . .
H23A H -0.0511 0.4924 0.2574 0.077 Uiso 1 1 calc R . .
C24 C -0.0876(3) 0.5491(3) 0.3467(3) 0.0751(13) Uani 1 1 d . . .
H24A H -0.0253 0.5880 0.3913 0.090 Uiso 1 1 calc R . .
C25 C -0.1641(3) 0.5481(3) 0.3611(3) 0.0802(13) Uani 1 1 d . . .
H25A H -0.1531 0.5847 0.4165 0.096 Uiso 1 1 calc R . .
C26 C -0.2578(3) 0.4926(2) 0.2933(2) 0.0600(10) Uani 1 1 d . . .
H26A H -0.3093 0.4934 0.3029 0.072 Uiso 1 1 calc R . .
C31 C -0.4726(2) 0.3628(2) 0.1680(2) 0.0405(7) Uani 1 1 d . . .
C32 C -0.4922(2) 0.2973(2) 0.2020(2) 0.0492(8) Uani 1 1 d . . .
H32A H -0.4664 0.2536 0.1977 0.059 Uiso 1 1 calc R . .
C33 C -0.5495(3) 0.2960(3) 0.2423(3) 0.0579(9) Uani 1 1 d . . .
H33A H -0.5625 0.2511 0.2641 0.069 Uiso 1 1 calc R . .
C34 C -0.5873(2) 0.3608(3) 0.2504(3) 0.0593(9) Uani 1 1 d . . .
H34A H -0.6247 0.3605 0.2786 0.071 Uiso 1 1 calc R . .
C35 C -0.5693(2) 0.4264(3) 0.2162(3) 0.0566(9) Uani 1 1 d . . .
H35A H -0.5948 0.4701 0.2214 0.068 Uiso 1 1 calc R . .
C36 C -0.5134(2) 0.4272(2) 0.1744(2) 0.0510(8) Uani 1 1 d . . .
H36A H -0.5029 0.4708 0.1504 0.061 Uiso 1 1 calc R . .
C1A C 0.4099(2) 0.8057(2) 0.3115(2) 0.0401(7) Uani 1 1 d . . .
C2A C 0.5866(2) 0.8258(2) 0.2472(2) 0.0408(7) Uani 1 1 d . . .
H2AA H 0.5672 0.7664 0.2138 0.049 Uiso 1 1 calc R . .
C3A C 0.6682(2) 0.8891(2) 0.2541(2) 0.0388(6) Uani 1 1 d . . .
C4A C 0.7175(2) 0.8727(2) 0.2062(2) 0.0427(7) Uani 1 1 d . . .
H4AA H 0.7031 0.8178 0.1656 0.051 Uiso 1 1 calc R . .
C5A C 0.7920(3) 0.9512(2) 0.2283(3) 0.0574(9) Uani 1 1 d . . .
H5AA H 0.8329 0.9535 0.2037 0.069 Uiso 1 1 calc R . .
C6A C 0.7980(3) 1.0216(3) 0.2877(3) 0.0686(11) Uani 1 1 d . . .
H6AA H 0.8427 1.0779 0.3078 0.082 Uiso 1 1 calc R . .
C1B C -0.0784(2) 0.8506(2) 0.3730(2) 0.0391(6) Uani 1 1 d . . .
C2B C -0.2385(2) 0.8303(2) 0.4574(2) 0.0475(8) Uani 1 1 d . . .
H2BA H -0.2122 0.8882 0.4979 0.057 Uiso 1 1 calc R . .
C3B C -0.3206(2) 0.7682(2) 0.4513(2) 0.0483(8) Uani 1 1 d . . .
C4B C -0.3618(3) 0.7817(3) 0.5055(3) 0.0719(12) Uani 1 1 d . . .
H4BA H -0.3405 0.8347 0.5524 0.086 Uiso 1 1 calc R . .
C5B C -0.4401(4) 0.7058(3) 0.4816(4) 0.0882(16) Uani 1 1 d . . .
H5BA H -0.4750 0.7032 0.5123 0.106 Uiso 1 1 calc R . .
C6B C -0.4588(3) 0.6392(3) 0.4114(4) 0.0775(13) Uani 1 1 d . . .
H6BA H -0.5087 0.5850 0.3868 0.093 Uiso 1 1 calc R . .
C11A C 0.3789(2) 0.81239(19) 0.5939(2) 0.0376(6) Uani 1 1 d . . .
C12A C 0.4575(2) 0.8450(2) 0.5821(3) 0.0523(8) Uani 1 1 d . . .
H12B H 0.4506 0.8269 0.5240 0.063 Uiso 1 1 calc R . .
C13A C 0.5460(3) 0.9044(3) 0.6562(3) 0.0659(11) Uani 1 1 d . . .
H13B H 0.5981 0.9252 0.6476 0.079 Uiso 1 1 calc R . .
C14A C 0.5564(3) 0.9323(3) 0.7424(3) 0.0673(11) Uani 1 1 d . . .
H14B H 0.6157 0.9720 0.7921 0.081 Uiso 1 1 calc R . .
C15A C 0.4792(3) 0.9014(2) 0.7551(3) 0.0591(9) Uani 1 1 d . . .
H15B H 0.4862 0.9207 0.8132 0.071 Uiso 1 1 calc R . .
C16A C 0.3907(2) 0.8415(2) 0.6811(2) 0.0455(7) Uani 1 1 d . . .
H16B H 0.3389 0.8207 0.6902 0.055 Uiso 1 1 calc R . .
C21A C 0.2730(2) 0.6279(2) 0.4778(2) 0.0422(7) Uani 1 1 d . . .
C22A C 0.3525(3) 0.6131(2) 0.5342(3) 0.0647(11) Uani 1 1 d . . .
H22B H 0.4068 0.6607 0.5818 0.078 Uiso 1 1 calc R . .
C23A C 0.3528(4) 0.5280(3) 0.5213(3) 0.0896(16) Uani 1 1 d . . .
H23B H 0.4073 0.5194 0.5600 0.107 Uiso 1 1 calc R . .
C24A C 0.2739(4) 0.4574(3) 0.4524(3) 0.0836(14) Uani 1 1 d . . .
H24B H 0.2743 0.4007 0.4443 0.100 Uiso 1 1 calc R . .
C25A C 0.1940(4) 0.4706(3) 0.3952(3) 0.0849(15) Uani 1 1 d . . .
H25B H 0.1399 0.4225 0.3482 0.102 Uiso 1 1 calc R . .
C26A C 0.1932(3) 0.5551(2) 0.4066(3) 0.0646(10) Uani 1 1 d . . .
H26B H 0.1391 0.5633 0.3666 0.078 Uiso 1 1 calc R . .
C31A C 0.1757(2) 0.7272(2) 0.53217(19) 0.0388(6) Uani 1 1 d . . .
C32A C 0.1650(3) 0.6722(2) 0.5797(2) 0.0539(8) Uani 1 1 d . . .
H32B H 0.2034 0.6385 0.5922 0.065 Uiso 1 1 calc R . .
C33A C 0.0978(3) 0.6669(3) 0.6088(3) 0.0669(11) Uani 1 1 d . . .
H33B H 0.0922 0.6310 0.6420 0.080 Uiso 1 1 calc R . .
C34A C 0.0391(3) 0.7152(3) 0.5884(3) 0.0631(10) Uani 1 1 d . . .
H34B H -0.0072 0.7106 0.6065 0.076 Uiso 1 1 calc R . .
C35A C 0.0486(3) 0.7701(3) 0.5412(3) 0.0565(9) Uani 1 1 d . . .
H35B H 0.0096 0.8032 0.5285 0.068 Uiso 1 1 calc R . .
C36A C 0.1168(2) 0.7760(2) 0.5125(2) 0.0443(7) Uani 1 1 d . . .
H36B H 0.1229 0.8126 0.4802 0.053 Uiso 1 1 calc R . .
C11B C -0.0723(2) 0.8980(2) 0.1040(2) 0.0404(7) Uani 1 1 d . . .
C12B C -0.1053(2) 0.9579(2) 0.0674(2) 0.0513(8) Uani 1 1 d . . .
H12C H -0.0610 1.0122 0.0806 0.062 Uiso 1 1 calc R . .
C13B C -0.2033(3) 0.9376(3) 0.0115(3) 0.0630(10) Uani 1 1 d . . .
H13C H -0.2245 0.9786 -0.0118 0.076 Uiso 1 1 calc R . .
C14B C -0.2691(3) 0.8571(3) -0.0097(3) 0.0671(11) Uani 1 1 d . . .
H14C H -0.3348 0.8438 -0.0472 0.081 Uiso 1 1 calc R . .
C15B C -0.2380(3) 0.7956(3) 0.0246(3) 0.0634(11) Uani 1 1 d . . .
H15C H -0.2824 0.7404 0.0087 0.076 Uiso 1 1 calc R . .
C16B C -0.1400(2) 0.8171(2) 0.0828(2) 0.0495(8) Uani 1 1 d . . .
H16C H -0.1193 0.7769 0.1079 0.059 Uiso 1 1 calc R . .
C21B C 0.1081(2) 1.0428(2) 0.2157(2) 0.0410(7) Uani 1 1 d . . .
C22B C 0.1573(3) 1.0830(2) 0.1779(3) 0.0546(9) Uani 1 1 d . . .
H22C H 0.1690 1.0486 0.1365 0.065 Uiso 1 1 calc R . .
C23B C 0.1896(3) 1.1740(2) 0.2007(3) 0.0693(11) Uani 1 1 d . . .
H23C H 0.2218 1.1998 0.1740 0.083 Uiso 1 1 calc R . .
C24B C 0.1739(3) 1.2252(3) 0.2623(3) 0.0776(13) Uani 1 1 d . . .
H24C H 0.1955 1.2860 0.2777 0.093 Uiso 1 1 calc R . .
C25B C 0.1261(4) 1.1865(3) 0.3018(3) 0.0818(14) Uani 1 1 d . . .
H25C H 0.1157 1.2216 0.3440 0.098 Uiso 1 1 calc R . .
C26B C 0.0933(3) 1.0960(2) 0.2791(3) 0.0648(10) Uani 1 1 d . . .
H26C H 0.0614 1.0706 0.3063 0.078 Uiso 1 1 calc R . .
C31B C 0.1008(2) 0.88008(19) 0.1078(2) 0.0401(7) Uani 1 1 d . . .
C32B C 0.1900(3) 0.8710(2) 0.1484(3) 0.0521(8) Uani 1 1 d . . .
H32C H 0.2243 0.8858 0.2116 0.062 Uiso 1 1 calc R . .
C33B C 0.2281(3) 0.8399(3) 0.0952(3) 0.0618(10) Uani 1 1 d . . .
H33C H 0.2886 0.8357 0.1231 0.074 Uiso 1 1 calc R . .
C34B C 0.1762(3) 0.8151(3) 0.0010(3) 0.0680(11) Uani 1 1 d . . .
H34C H 0.2014 0.7934 -0.0346 0.082 Uiso 1 1 calc R . .
C35B C 0.0877(3) 0.8225(3) -0.0402(3) 0.0656(11) Uani 1 1 d . . .
H35C H 0.0529 0.8054 -0.1037 0.079 Uiso 1 1 calc R . .
C36B C 0.0495(3) 0.8555(2) 0.0125(2) 0.0523(8) Uani 1 1 d . . .
H36C H -0.0102 0.8612 -0.0158 0.063 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
Cu1B P1B 2.2610(9) . ?
Cu1B S1B 2.3284(8) . ?
Cu1B I1B 2.6808(5) . ?
Cu1B I1A 2.7355(5) . ?
Cu P 2.2613(9) . ?
Cu S1 2.3505(9) . ?
Cu I 2.6466(4) 2_465 ?
Cu I 2.8171(5) . ?
Cu1A P1A 2.2698(9) . ?
Cu1A S1A 2.3363(8) . ?
Cu1A I1B 2.7042(4) . ?
Cu1A I1A 2.7079(5) . ?
I Cu 2.6466(4) 2_465 ?
S1 C1 1.704(3) . ?
S2 C6 1.717(4) . ?
S2 C3 1.725(3) . ?
S1A C1A 1.703(3) . ?
S2A C6A 1.701(4) . ?
S2A C3A 1.718(3) . ?
S1B C1B 1.701(3) . ?
S2B C6B 1.707(4) . ?
S2B C3B 1.722(3) . ?
P C31 1.828(3) . ?
P C21 1.833(3) . ?
P C11 1.838(3) . ?
P1A C21A 1.829(3) . ?
P1A C11A 1.838(3) . ?
P1A C31A 1.842(3) . ?
P1B C31B 1.833(3) . ?
P1B C21B 1.834(3) . ?
P1B C11B 1.840(3) . ?
N1 C1 1.323(4) . ?
N1 H1A 0.8600 . ?
N1 H1B 0.8600 . ?
N2 C1 1.341(4) . ?
N2 N3 1.383(3) . ?
N2 H2B 0.8600 . ?
N3 C2 1.284(4) . ?
N1A C1A 1.321(4) . ?
N1A H1AA 0.8600 . ?
N1A H1AB 0.8600 . ?
N2A C1A 1.344(4) . ?
N2A N3A 1.380(3) . ?
N2A H2AB 0.8600 . ?
N3A C2A 1.275(4) . ?
N1B C1B 1.316(4) . ?
N1B H1BA 0.8600 . ?
N1B H1BB 0.8600 . ?
N2B C1B 1.349(4) . ?
N2B N3B 1.375(3) . ?
N2B H2BB 0.8600 . ?
N3B C2B 1.274(4) . ?
C2 C3 1.428(4) . ?
C2 H2A 0.9300 . ?
C3 C4 1.370(4) . ?
C4 C5 1.405(5) . ?
C4 H4A 0.9300 . ?
C5 C6 1.346(5) . ?
C5 H5A 0.9300 . ?
C6 H6A 0.9300 . ?
C11 C12 1.383(5) . ?
C11 C16 1.383(5) . ?
C12 C13 1.384(6) . ?
C12 H12A 0.9300 . ?
C13 C14 1.368(6) . ?
C13 H13A 0.9300 . ?
C14 C15 1.366(6) . ?
C14 H14A 0.9300 . ?
C15 C16 1.395(5) . ?
C15 H15A 0.9300 . ?
C16 H16A 0.9300 . ?
C21 C26 1.381(5) . ?
C21 C22 1.396(5) . ?
C22 C23 1.386(5) . ?
C22 H22A 0.9300 . ?
C23 C24 1.374(6) . ?
C23 H23A 0.9300 . ?
C24 C25 1.375(6) . ?
C24 H24A 0.9300 . ?
C25 C26 1.390(5) . ?
C25 H25A 0.9300 . ?
C26 H26A 0.9300 . ?
C31 C32 1.387(4) . ?
C31 C36 1.403(4) . ?
C32 C33 1.384(5) . ?
C32 H32A 0.9300 . ?
C33 C34 1.378(5) . ?
C33 H33A 0.9300 . ?
C34 C35 1.384(5) . ?
C34 H34A 0.9300 . ?
C35 C36 1.383(5) . ?
C35 H35A 0.9300 . ?
C36 H36A 0.9300 . ?
C2A C3A 1.440(4) . ?
C2A H2AA 0.9300 . ?
C3A C4A 1.406(4) . ?
C4A C5A 1.416(4) . ?
C4A H4AA 0.9300 . ?
C5A C6A 1.332(5) . ?
C5A H5AA 0.9300 . ?
C6A H6AA 0.9300 . ?
C2B C3B 1.443(4) . ?
C2B H2BA 0.9300 . ?
C3B C4B 1.374(5) . ?
C4B C5B 1.412(6) . ?
C4B H4BA 0.9300 . ?
C5B C6B 1.318(6) . ?
C5B H5BA 0.9300 . ?
C6B H6BA 0.9300 . ?
C11A C16A 1.387(4) . ?
C11A C12A 1.392(4) . ?
C12A C13A 1.389(5) . ?
C12A H12B 0.9300 . ?
C13A C14A 1.379(6) . ?
C13A H13B 0.9300 . ?
C14A C15A 1.377(6) . ?
C14A H14B 0.9300 . ?
C15A C16A 1.392(5) . ?
C15A H15B 0.9300 . ?
C16A H16B 0.9300 . ?
C21A C22A 1.375(5) . ?
C21A C26A 1.394(5) . ?
C22A C23A 1.393(5) . ?
C22A H22B 0.9300 . ?
C23A C24A 1.361(6) . ?
C23A H23B 0.9300 . ?
C24A C25A 1.370(6) . ?
C24A H24B 0.9300 . ?
C25A C26A 1.388(6) . ?
C25A H25B 0.9300 . ?
C26A H26B 0.9300 . ?
C31A C36A 1.387(4) . ?
C31A C32A 1.388(5) . ?
C32A C33A 1.383(5) . ?
C32A H32B 0.9300 . ?
C33A C34A 1.378(6) . ?
C33A H33B 0.9300 . ?
C34A C35A 1.377(5) . ?
C34A H34B 0.9300 . ?
C35A C36A 1.393(5) . ?
C35A H35B 0.9300 . ?
C36A H36B 0.9300 . ?
C11B C12B 1.391(5) . ?
C11B C16B 1.392(4) . ?
C12B C13B 1.387(5) . ?
C12B H12C 0.9300 . ?
C13B C14B 1.372(6) . ?
C13B H13C 0.9300 . ?
C14B C15B 1.388(6) . ?
C14B H14C 0.9300 . ?
C15B C16B 1.389(5) . ?
C15B H15C 0.9300 . ?
C16B H16C 0.9300 . ?
C21B C22B 1.382(4) . ?
C21B C26B 1.393(5) . ?
C22B C23B 1.392(5) . ?
C22B H22C 0.9300 . ?
C23B C24B 1.364(6) . ?
C23B H23C 0.9300 . ?
C24B C25B 1.380(6) . ?
C24B H24C 0.9300 . ?
C25B C26B 1.384(5) . ?
C25B H25C 0.9300 . ?
C26B H26C 0.9300 . ?
C31B C32B 1.392(5) . ?
C31B C36B 1.398(4) . ?
C32B C33B 1.387(5) . ?
C32B H32C 0.9300 . ?
C33B C34B 1.381(6) . ?
C33B H33C 0.9300 . ?
C34B C35B 1.370(6) . ?
C34B H34C 0.9300 . ?
C35B C36B 1.394(5) . ?
C35B H35C 0.9300 . ?
C36B H36C 0.9300 . ?
