#------------------------------------------------------------------------------
#$Date: 2022-09-15 03:04:42 +0300 (Thu, 15 Sep 2022) $
#$Revision: 277859 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/30/01/4300155.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_4300155
loop_
_publ_author_name
'Christopher J. Chang'
'Yongqi Deng'
'Alan F. Heyduk'
'C. K. Chang'
'Daniel G. Nocera'
_publ_section_title
;
Xanthene-Bridged Cofacial Bisporphyrins
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              959
_journal_page_last               966
_journal_paper_doi               10.1021/ic990987+
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'C79 H75.5 N8 O Zn2'
_chemical_formula_weight         1283.71
_chemical_name_common            Zn2DPX
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                101.71(2)
_cell_angle_beta                 100.88(2)
_cell_angle_gamma                101.798(12)
_cell_formula_units_Z            2
_cell_length_a                   11.267(3)
_cell_length_b                   14.994(3)
_cell_length_c                   20.487(5)
_cell_measurement_temperature    183(2)
_cell_volume                     3220.6(14)
_diffrn_ambient_temperature      183(2)
_exptl_crystal_density_diffrn    1.324
_refine_ls_R_factor_obs          0.0565
_refine_ls_wR_factor_obs         0.1355
_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_original_formula_sum        'C79 H75.50 N8 O Zn2'
_cod_database_code               4300155
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
ZnA Zn 1.21126(5) 0.16584(4) 0.25835(3) 0.0267(2) Uani 1 d . .
ZnB Zn 0.91026(5) 0.12018(4) 0.30953(3) 0.0295(2) Uani 1 d . .
N1A N 1.2145(3) 0.3006(3) 0.2513(2) 0.0270(9) Uani 1 d . .
N1B N 0.9049(4) 0.2572(3) 0.3217(2) 0.0294(9) Uani 1 d . .
N2B N 1.0756(4) 0.1591(3) 0.3829(2) 0.0327(10) Uani 1 d . .
N2A N 1.3782(4) 0.2117(3) 0.3293(2) 0.0327(10) Uani 1 d . .
N3B N 0.9046(4) -0.0173(3) 0.3081(2) 0.0306(9) Uani 1 d . .
N3A N 1.2197(4) 0.0305(3) 0.2559(2) 0.0291(9) Uani 1 d . .
N4B N 1.0516(3) 0.1205(3) 0.1816(2) 0.0242(9) Uani 1 d . .
N4B N 0.7438(4) 0.0813(3) 0.2386(2) 0.0282(9) Uani 1 d . .
O O 0.8148(3) 0.3265(2) 0.1520(2) 0.0324(8) Uani 1 d . .
C1B C 0.7115(4) 0.2374(3) 0.2346(2) 0.0275(11) Uani 1 d . .
C1A C 1.0352(4) 0.2707(3) 0.1529(2) 0.0246(10) Uani 1 d . .
C1C C 0.9778(4) 0.3134(3) 0.0981(2) 0.0280(11) Uani 1 d . .
C2B C 0.8122(4) 0.2914(3) 0.2895(2) 0.0287(11) Uani 1 d . .
C2C C 1.0348(5) 0.3261(3) 0.0458(2) 0.0327(12) Uani 1 d . .
H2CA H 1.1108(5) 0.3085(3) 0.0444(2) 0.039 Uiso 1 calc R .
C2A C 1.1357(4) 0.3308(3) 0.2055(2) 0.0262(11) Uani 1 d . .
C3C C 0.9815(5) 0.3648(4) -0.0051(3) 0.0370(12) Uani 1 d . .
H3CA H 1.0204(5) 0.3720(4) -0.0417(3) 0.044 Uiso 1 calc R .
C3B C 0.8383(5) 0.3931(4) 0.3191(3) 0.0339(12) Uani 1 d . .
C3A C 1.1757(5) 0.4336(3) 0.2192(3) 0.0324(12) Uani 1 d . .
C4B C 0.9476(5) 0.4171(3) 0.3682(3) 0.0330(12) Uani 1 d . .
C4A C 1.2786(5) 0.4623(3) 0.2729(3) 0.0323(12) Uani 1 d . .
C4C C 0.8731(5) 0.3927(4) -0.0029(3) 0.0367(13) Uani 1 d . .
H4CA H 0.8391(5) 0.4200(4) -0.0377(3) 0.044 Uiso 1 calc R .
C5A C 1.3021(4) 0.3790(3) 0.2927(2) 0.0297(11) Uani 1 d . .
C5B C 0.9900(5) 0.3328(3) 0.3682(2) 0.0322(12) Uani 1 d . .
C5C C 0.8121(5) 0.3819(3) 0.0490(2) 0.0297(11) Uani 1 d . .
C6A C 1.4027(5) 0.3801(4) 0.3440(3) 0.0333(12) Uani 1 d . .
H6AA H 1.4520(5) 0.4404(4) 0.3704(3) 0.040 Uiso 1 calc R .
C6B C 1.0998(5) 0.3288(3) 0.4111(2) 0.0328(12) Uani 1 d . .
H6BA H 1.1531(5) 0.3875(3) 0.4381(2) 0.039 Uiso 1 calc R .
C6C C 0.8673(4) 0.3420(3) 0.0984(2) 0.0269(11) Uani 1 d . .
C7A C 1.4395(5) 0.3036(4) 0.3613(3) 0.0335(12) Uani 1 d . .
C7B C 1.1404(5) 0.2498(3) 0.4189(2) 0.0316(12) Uani 1 d . .
C7C C 0.6379(4) 0.2903(3) 0.1947(2) 0.0308(11) Uani 1 d . .
C8A C 1.5517(5) 0.3078(4) 0.4108(3) 0.054(2) Uani 1 d . .
C8B C 1.2476(5) 0.2476(4) 0.4697(3) 0.0355(12) Uani 1 d . .
C8C C 0.5185(5) 0.2960(4) 0.1981(3) 0.0403(13) Uani 1 d . .
H8CA H 0.4796(5) 0.2690(4) 0.2293(3) 0.048 Uiso 1 calc R .
C9A C 1.5571(6) 0.2181(5) 0.4093(4) 0.073(2) Uani 1 d . .
C9B C 1.2460(5) 0.1559(4) 0.4657(3) 0.0360(12) Uani 1 d . .
C9C C 0.4555(5) 0.3416(4) 0.1556(3) 0.0465(15) Uani 1 d . .
H9CA H 0.3738(5) 0.3466(4) 0.1584(3) 0.056 Uiso 1 calc R .
C10B C 1.1369(5) 0.1007(4) 0.4117(3) 0.0347(12) Uani 1 d . .
C10A C 1.4483(5) 0.1580(4) 0.3577(3) 0.049(2) Uani 1 d . .
C10C C 0.5107(5) 0.3796(4) 0.1095(3) 0.0438(14) Uani 1 d . .
H10A H 0.4660(5) 0.4101(4) 0.0808(3) 0.053 Uiso 1 calc R .
C11A C 1.4166(6) 0.0610(4) 0.3402(4) 0.062(2) Uani 1 d . .
H11A H 1.4740(6) 0.0319(4) 0.3626(4) 0.075 Uiso 1 calc R .
C11B C 1.0958(5) 0.0032(4) 0.3943(3) 0.0352(12) Uani 1 d . .
H11B H 1.1473(5) -0.0291(4) 0.4175(3) 0.042 Uiso 1 calc R .
C11C C 0.6313(5) 0.3742(4) 0.1039(2) 0.0319(12) Uani 1 d . .
C12A C 1.3109(5) 0.0007(4) 0.2938(3) 0.0448(14) Uani 1 d . .
C12B C 0.9886(5) -0.0519(3) 0.3472(2) 0.0324(12) Uani 1 d . .
C12C C 0.6928(4) 0.3318(3) 0.1489(2) 0.0306(11) Uani 1 d . .
C13B C 0.9493(5) -0.1541(4) 0.3296(3) 0.0371(13) Uani 1 d . .
C13A C 1.2784(5) -0.1012(4) 0.2784(3) 0.053(2) Uani 1 d . .
C13C C 0.6951(5) 0.4174(4) 0.0542(3) 0.0348(12) Uani 1 d . .
C14B C 0.8428(5) -0.1798(3) 0.2791(3) 0.0373(13) Uani 1 d . .
C14A C 1.1682(5) -0.1325(3) 0.2308(3) 0.0361(12) Uani 1 d . .
C14C C 0.7345(6) 0.5248(4) 0.0821(4) 0.062(2) Uani 1 d . .
H14G H 0.7758(6) 0.5535(4) 0.0507(4) 0.093 Uiso 1 calc R .
H14H H 0.7924(6) 0.5413(4) 0.1274(4) 0.093 Uiso 1 calc R .
H14I H 0.6605(6) 0.5483(4) 0.0862(4) 0.093 Uiso 1 calc R .
C15B C 0.8159(5) -0.0940(3) 0.2663(3) 0.0329(12) Uani 1 d . .
C15A C 1.1318(4) -0.0494(3) 0.2174(2) 0.0271(11) Uani 1 d . .
C15C C 0.6042(5) 0.3919(5) -0.0171(3) 0.057(2) Uani 1 d . .
H15A H 0.6461(5) 0.4199(5) -0.0486(3) 0.085 Uiso 1 calc R .
H15B H 0.5308(5) 0.4162(5) -0.0132(3) 0.085 Uiso 1 calc R .
H15C H 0.5780(5) 0.3233(5) -0.0348(3) 0.085 Uiso 1 calc R .
C16B C 0.7157(5) -0.0896(3) 0.2173(3) 0.0336(12) Uani 1 d . .
H16A H 0.6622(5) -0.1482(3) 0.1902(3) 0.040 Uiso 1 calc R .
C16A C 1.0253(4) -0.0497(3) 0.1701(2) 0.0274(11) Uani 1 d . .
H16B H 0.9702(4) -0.1096(3) 0.1472(2) 0.033 Uiso 1 calc R .
C17B C 0.6843(4) -0.0097(3) 0.2030(2) 0.0308(11) Uani 1 d . .
C17A C 0.9902(4) 0.0276(3) 0.1526(2) 0.0266(11) Uani 1 d . .
C18B C 0.5827(4) -0.0108(4) 0.1476(2) 0.0331(12) Uani 1 d . .
C18A C 0.8871(4) 0.0195(3) 0.0966(2) 0.0270(11) Uani 1 d . .
C19A C 0.8887(4) 0.1077(3) 0.0891(2) 0.0280(11) Uani 1 d . .
C19B C 0.5801(4) 0.0803(4) 0.1504(2) 0.0322(12) Uani 1 d . .
C20B C 0.6812(4) 0.1389(4) 0.2091(2) 0.0303(11) Uani 1 d . .
C20A C 0.9938(4) 0.1722(3) 0.1428(2) 0.0252(10) Uani 1 d . .
C31 C 1.1151(6) 0.4997(4) 0.1869(3) 0.0481(15) Uani 1 d . .
H31A H 1.0430(6) 0.4633(4) 0.1495(3) 0.072 Uiso 1 calc R .
H31B H 1.1755(6) 0.5384(4) 0.1687(3) 0.072 Uiso 1 calc R .
H31C H 1.0874(6) 0.5405(4) 0.2215(3) 0.072 Uiso 1 calc R .
C32 C 0.7615(6) 0.4609(4) 0.3044(3) 0.051(2) Uani 1 d . .
H32A H 0.6873(6) 0.4280(4) 0.2673(3) 0.077 Uiso 1 calc R .
H32B H 0.8115(6) 0.5122(4) 0.2906(3) 0.077 Uiso 1 calc R .
H32C H 0.7358(6) 0.4868(4) 0.3458(3) 0.077 Uiso 1 calc R .
C41 C 1.3600(5) 0.5603(4) 0.3050(3) 0.0441(14) Uani 1 d . .
H41A H 1.3936(5) 0.5668(4) 0.3544(3) 0.053 Uiso 1 calc R .
H41B H 1.3086(5) 0.6060(4) 0.3009(3) 0.053 Uiso 1 calc R .
C42 C 1.4678(7) 0.5837(5) 0.2718(4) 0.081(2) Uani 1 d . .
H42A H 1.5178(7) 0.6480(5) 0.2943(4) 0.121 Uiso 1 calc R .
H42B H 1.4351(7) 0.5787(5) 0.2229(4) 0.121 Uiso 1 calc R .
H42C H 1.5202(7) 0.5395(5) 0.2765(4) 0.121 Uiso 1 calc R .
C43 C 1.0170(5) 0.5134(4) 0.4129(3) 0.0404(13) Uani 1 d . .
H43A H 1.0647(5) 0.5069(4) 0.4567(3) 0.048 Uiso 1 calc R .
H43B H 0.9561(5) 0.5498(4) 0.4235(3) 0.048 Uiso 1 calc R .
C44 C 1.1054(6) 0.5665(4) 0.3791(3) 0.054(2) Uani 1 d . .
H44A H 1.1484(6) 0.6286(4) 0.4100(3) 0.082 Uiso 1 calc R .
H44B H 1.0584(6) 0.5743(4) 0.3361(3) 0.082 Uiso 1 calc R .
H44C H 1.1671(6) 0.5314(4) 0.3693(3) 0.082 Uiso 1 calc R .
C81 C 1.6441(6) 0.3970(4) 0.4557(3) 0.061(2) Uani 1 d . .
H81A H 1.6166(6) 0.4518(4) 0.4457(3) 0.092 Uiso 1 calc R .
H81B H 1.7266(6) 0.3990(4) 0.4464(3) 0.092 Uiso 1 calc R .
H81C H 1.6488(6) 0.3980(4) 0.5041(3) 0.092 Uiso 1 calc R .
C82 C 1.3389(5) 0.3338(4) 0.5190(3) 0.0477(15) Uani 1 d . .
H82A H 1.3165(5) 0.3905(4) 0.5094(3) 0.072 Uiso 1 calc R .
H82B H 1.4235(5) 0.3348(4) 0.5131(3) 0.072 Uiso 1 calc R .
H82C H 1.3360(5) 0.3322(4) 0.5662(3) 0.072 Uiso 1 calc R .
C91 C 1.6494(7) 0.1766(7) 0.4667(5) 0.117(4) Uani 1 d . .
H91A H 1.6851(7) 0.2217(7) 0.5122(5) 0.141 Uiso 1 calc R .
H91B H 1.6090(7) 0.1139(7) 0.4714(5) 0.141 Uiso 1 calc R .
C92 C 1.7311(11) 0.1743(7) 0.4251(4) 0.114(4) Uani 1 d . .
H92A H 1.8010(11) 0.1513(7) 0.4455(4) 0.171 Uiso 0.50 calc PR .
H92B H 1.7627(11) 0.2378(7) 0.4199(4) 0.171 Uiso 0.50 calc PR .
H92C H 1.6879(11) 0.1321(7) 0.3799(4) 0.171 Uiso 0.50 calc PR .
C93 C 1.3315(5) 0.1148(4) 0.5086(3) 0.0416(14) Uani 1 d . .
H93A H 1.4141(5) 0.1605(4) 0.5264(3) 0.050 Uiso 1 calc R .
H93B H 1.3429(5) 0.0574(4) 0.4794(3) 0.050 Uiso 1 calc R .
C94 C 1.2835(6) 0.0895(5) 0.5689(3) 0.065(2) Uani 1 d . .
H94A H 1.3432(6) 0.0628(5) 0.5951(3) 0.097 Uiso 1 calc R .
H94B H 1.2025(6) 0.0430(5) 0.5516(3) 0.097 Uiso 1 calc R .
H94C H 1.2738(6) 0.1462(5) 0.5987(3) 0.097 Uiso 1 calc R .
C131 C 1.3594(9) -0.1592(5) 0.3089(6) 0.114(4) Uani 1 d . .
C132 C 1.3648(11) -0.1749(9) 0.3634(6) 0.044(3) Uani 0.50 d P .
C132 C 1.4486(14) -0.1798(11) 0.2942(7) 0.062(4) Uani 0.50 d P .
C133 C 1.0133(5) -0.2152(4) 0.3656(3) 0.0412(13) Uani 1 d . .
H13A H 1.1043(5) -0.1858(4) 0.3800(3) 0.049 Uiso 1 calc R .
H13B H 0.9999(5) -0.2771(4) 0.3331(3) 0.049 Uiso 1 calc R .
C134 C 0.9665(7) -0.2304(5) 0.4281(3) 0.064(2) Uani 1 d . .
H13C H 1.0112(7) -0.2706(5) 0.4496(3) 0.096 Uiso 1 calc R .
H13D H 0.8769(7) -0.2608(5) 0.4141(3) 0.096 Uiso 1 calc R .
H13E H 0.9813(7) -0.1695(5) 0.4610(3) 0.096 Uiso 1 calc R .
C141 C 1.0982(5) -0.2322(4) 0.1961(3) 0.0454(14) Uani 1 d . .
H14D H 1.0212(5) -0.2331(4) 0.1640(3) 0.068 Uiso 1 calc R .
H14E H 1.0773(5) -0.2653(4) 0.2306(3) 0.068 Uiso 1 calc R .
H14F H 1.1503(5) -0.2635(4) 0.1708(3) 0.068 Uiso 1 calc R .
C142 C 0.7661(6) -0.2780(4) 0.2425(3) 0.054(2) Uani 1 d . .
H14A H 0.6941(6) -0.2751(4) 0.2084(3) 0.082 Uiso 1 calc R .
H14B H 0.7368(6) -0.3101(4) 0.2758(3) 0.082 Uiso 1 calc R .
H14C H 0.8175(6) -0.3129(4) 0.2193(3) 0.082 Uiso 1 calc R .
C181 C 0.8007(4) -0.0716(3) 0.0516(2) 0.0308(11) Uani 1 d . .
H18C H 0.7161(4) -0.0620(3) 0.0377(2) 0.037 Uiso 1 calc R .
H18D H 0.7950(4) -0.1197(3) 0.0783(2) 0.037 Uiso 1 calc R .
C182 C 0.8437(5) -0.1079(4) -0.0125(3) 0.0480(15) Uani 1 d . .
H18E H 0.7845(5) -0.1670(4) -0.0399(3) 0.072 Uiso 1 calc R .
H18F H 0.9267(5) -0.1188(4) 0.0008(3) 0.072 Uiso 1 calc R .
H18G H 0.8476(5) -0.0612(4) -0.0398(3) 0.072 Uiso 1 calc R .
C183 C 0.4954(5) -0.0984(4) 0.0984(3) 0.0413(13) Uani 1 d . .
H18A H 0.4717(5) -0.0858(4) 0.0527(3) 0.050 Uiso 1 calc R .
H18B H 0.5394(5) -0.1493(4) 0.0935(3) 0.050 Uiso 1 calc R .
C184 C 0.3790(6) -0.1309(5) 0.1221(3) 0.068(2) Uani 1 d . .
H18H H 0.3252(6) -0.1879(5) 0.0886(3) 0.101 Uiso 1 calc R .
H18I H 0.3341(6) -0.0813(5) 0.1261(3) 0.101 Uiso 1 calc R .
H18J H 0.4019(6) -0.1447(5) 0.1669(3) 0.101 Uiso 1 calc R .
C191 C 0.7975(5) 0.1285(4) 0.0343(3) 0.0384(13) Uani 1 d . .
H19A H 0.8164(5) 0.1965(4) 0.0386(3) 0.058 Uiso 1 calc R .
H19B H 0.7125(5) 0.1066(4) 0.0395(3) 0.058 Uiso 1 calc R .
H19C H 0.8041(5) 0.0961(4) -0.0110(3) 0.058 Uiso 1 calc R .
C192 C 0.4877(5) 0.1068(4) 0.0993(3) 0.0461(14) Uani 1 d . .
H19D H 0.5014(5) 0.1754(4) 0.1104(3) 0.069 Uiso 1 calc R .
H19E H 0.4026(5) 0.0778(4) 0.1013(3) 0.069 Uiso 1 calc R .
H19F H 0.4987(5) 0.0844(4) 0.0530(3) 0.069 Uiso 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
ZnA N2A 2.039(4) . ?
ZnA N3A 2.042(4) . ?
ZnA N4B 2.042(4) . ?
ZnA N1A 2.049(4) . ?
ZnB N1B 2.034(4) . ?
ZnB N4B 2.037(4) . ?
ZnB N3B 2.043(4) . ?
ZnB N2B 2.053(4) . ?
N1A C5A 1.371(6) . ?
N1A C2A 1.376(6) . ?
N1B C2B 1.373(6) . ?
N1B C5B 1.373(6) . ?
N2B C10B 1.377(6) . ?
N2B C7B 1.383(6) . ?
N2A C7A 1.371(6) . ?
N2A C10A 1.375(7) . ?
N3B C15B 1.365(6) . ?
N3B C12B 1.375(6) . ?
N3A C15A 1.369(6) . ?
N3A C12A 1.374(6) . ?
N4B C17A 1.375(6) . ?
N4B C20A 1.384(6) . ?
N4B C17B 1.372(6) . ?
N4B C20B 1.381(6) . ?
O C6C 1.378(5) . ?
O C12C 1.383(6) . ?
C1B C2B 1.408(7) . ?
C1B C20B 1.409(7) . ?
C1B C7C 1.504(7) . ?
C1A C2A 1.409(7) . ?
C1A C20A 1.415(6) . ?
C1A C1C 1.508(6) . ?
C1C C2C 1.375(7) . ?
C1C C6C 1.398(7) . ?
C2B C3B 1.467(7) . ?
C2C C3C 1.391(7) . ?
C2A C3A 1.466(7) . ?
C3C C4C 1.375(7) . ?
C3B C4B 1.365(7) . ?
C3B C32 1.503(7) . ?
C3A C4A 1.364(7) . ?
C3A C31 1.504(7) . ?
C4B C5B 1.439(7) . ?
C4B C43 1.505(7) . ?
C4A C5A 1.446(7) . ?
C4A C41 1.504(7) . ?
C4C C5C 1.390(7) . ?
C5A C6A 1.388(7) . ?
C5B C6B 1.396(7) . ?
C5C C6C 1.389(7) . ?
C5C C13C 1.533(7) . ?
C6A C7A 1.384(7) . ?
C6B C7B 1.381(7) . ?
C7A C8A 1.446(7) . ?
C7B C8B 1.449(7) . ?
C7C C8C 1.378(7) . ?
C7C C12C 1.396(7) . ?
C8A C9A 1.353(9) . ?
C8A C81 1.512(8) . ?
C8B C9B 1.356(7) . ?
C8B C82 1.511(7) . ?
C8C C9C 1.392(7) . ?
C9A C10A 1.450(8) . ?
C9A C91 1.718(13) . ?
C9B C10B 1.456(7) . ?
C9B C93 1.492(7) . ?
C9C C10C 1.379(8) . ?
C10B C11B 1.387(7) . ?
C10A C11A 1.378(8) . ?
C10C C11C 1.401(7) . ?
C11A C12A 1.386(8) . ?
C11B C12B 1.379(7) . ?
C11C C12C 1.383(7) . ?
C11C C13C 1.526(7) . ?
C12A C13A 1.450(8) . ?
C12B C13B 1.454(7) . ?
C13B C14B 1.357(7) . ?
C13B C133 1.500(7) . ?
C13A C14A 1.353(8) . ?
C13A C131 1.520(8) . ?
C13C C14C 1.535(8) . ?
C13C C15C 1.542(7) . ?
C14B C15B 1.442(7) . ?
C14B C142 1.505(7) . ?
C14A C15A 1.450(7) . ?
C14A C141 1.495(7) . ?
C15B C16B 1.384(7) . ?
C15A C16A 1.391(7) . ?
C16B C17B 1.385(7) . ?
C16A C17A 1.390(6) . ?
C17B C18B 1.447(7) . ?
C17A C18A 1.436(6) . ?
C18B C19B 1.362(7) . ?
C18B C183 1.507(7) . ?
C18A C19A 1.361(7) . ?
C18A C181 1.506(6) . ?
C19A C20A 1.469(7) . ?
C19A C191 1.500(6) . ?
C19B C20B 1.470(7) . ?
C19B C192 1.505(7) . ?
C41 C42 1.515(9) . ?
C43 C44 1.505(8) . ?
C91 C92 1.368(12) . ?
C93 C94 1.522(8) . ?
C131 C132 1.18(2) . ?
C131 C132 1.179(14) . ?
C132 C132 1.84(2) . ?
C133 C134 1.513(8) . ?
C181 C182 1.521(7) . ?
C183 C184 1.506(8) . ?
