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#$Date: 2016-03-21 06:16:23 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178500 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/20/4062081.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_4062081
_journal_name_full               Organometallics
_journal_year                    2003
_chemical_formula_sum            'C36 H56 P4 Pd'
_chemical_formula_weight         719.09
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 103.7100(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.5573(7)
_cell_length_b                   18.1364(11)
_cell_length_c                   19.6534(12)
_cell_measurement_temperature    173(2)
_cell_volume                     3655.8(4)
_diffrn_ambient_temperature      173(2)
_exptl_crystal_density_diffrn    1.306
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4062081
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -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
Pd1 Pd 0.090231(18) -0.214642(11) 0.398387(10) 0.02319(5) Uani 1 1 d . . .
P1 P 0.17362(7) -0.32157(5) 0.36309(4) 0.02700(15) Uani 1 1 d . . .
P21 P -0.09808(7) -0.23908(4) 0.31309(4) 0.02661(15) Uani 1 1 d . . .
P31 P 0.22753(7) -0.11427(5) 0.42747(4) 0.02851(15) Uani 1 1 d . . .
P51 P 0.05466(7) -0.20656(5) 0.50917(3) 0.02928(15) Uani 1 1 d . . .
C1 C 0.3572(6) -0.3622(3) 0.4850(3) 0.098(2) Uani 1 1 d . . .
H1A H 0.4105 -0.4011 0.5123 0.147 Uiso 1 1 calc R . .
H1B H 0.2992 -0.3412 0.5122 0.147 Uiso 1 1 calc R . .
H1C H 0.4140 -0.3234 0.4742 0.147 Uiso 1 1 calc R . .
C2 C 0.2754(3) -0.3948(2) 0.41660(18) 0.0430(8) Uani 1 1 d . . .
H2A H 0.2169 -0.4339 0.4280 0.052 Uiso 1 1 calc R . .
C3 C 0.3651(4) -0.4295(2) 0.3730(3) 0.0588(11) Uani 1 1 d . . .
H3A H 0.4574 -0.4191 0.3960 0.071 Uiso 1 1 calc R . .
H3B H 0.3531 -0.4836 0.3711 0.071 Uiso 1 1 calc R . .
C4 C 0.3339(4) -0.3985(2) 0.2990(2) 0.0507(10) Uani 1 1 d . . .
H4A H 0.2668 -0.4292 0.2679 0.061 Uiso 1 1 calc R . .
H4B H 0.4132 -0.3984 0.2804 0.061 Uiso 1 1 calc R . .
C5 C 0.2835(3) -0.3197(2) 0.30178(17) 0.0370(7) Uani 1 1 d . . .
H5A H 0.3604 -0.2889 0.3245 0.044 Uiso 1 1 calc R . .
C6 C 0.2265(4) -0.2855(3) 0.23063(18) 0.0565(11) Uani 1 1 d . . .
H6A H 0.2912 -0.2872 0.2023 0.085 Uiso 1 1 calc R . .
H6B H 0.2027 -0.2341 0.2367 0.085 Uiso 1 1 calc R . .
H6C H 0.1486 -0.3131 0.2070 0.085 Uiso 1 1 calc R . .
C11 C 0.0317(3) -0.37430(17) 0.31335(14) 0.0286(6) Uani 1 1 d . . .
C12 C 0.0345(3) -0.4505(2) 0.3013(2) 0.0426(8) Uani 1 1 d . . .
H12A H 0.1125 -0.4772 0.3199 0.051 Uiso 1 1 calc R . .
C13 C -0.0735(4) -0.4877(2) 0.2632(2) 0.0528(10) Uani 1 1 d . . .
H13A H -0.0695 -0.5394 0.2563 0.063 Uiso 1 1 calc R . .
C14 C -0.1872(4) -0.4496(2) 0.2352(2) 0.0481(9) Uani 1 1 d . . .
H14A H -0.2614 -0.4748 0.2085 0.058 Uiso 1 1 calc R . .
C15 C -0.1920(3) -0.3745(2) 0.24656(16) 0.0370(7) Uani 1 1 d . . .
H15A H -0.2695 -0.3481 0.2262 0.044 Uiso 1 1 calc R . .
C16 C -0.0857(3) -0.33653(17) 0.28719(14) 0.0283(6) Uani 1 1 d . . .
C21 C -0.2931(4) -0.3024(3) 0.3780(2) 0.0537(10) Uani 1 1 d . . .
H21A H -0.3758 -0.2936 0.3911 0.081 Uiso 1 1 calc R . .
H21B H -0.2248 -0.3130 0.4202 0.081 Uiso 1 1 calc R . .
H21C H -0.3027 -0.3446 0.3460 0.081 Uiso 1 1 calc R . .
C22 C -0.2563(3) -0.2352(2) 0.34241(16) 0.0365(7) Uani 1 1 d . . .
H22A H -0.2440 -0.1951 0.3783 0.044 Uiso 1 1 calc R . .
C23 C -0.3613(3) -0.2066(2) 0.28022(18) 0.0468(9) Uani 1 1 d . . .
H23A H -0.4023 -0.2482 0.2503 0.056 Uiso 1 1 calc R . .
H23B H -0.4298 -0.1799 0.2970 0.056 Uiso 1 1 calc R . .
C24 C -0.2942(3) -0.1553(2) 0.23932(19) 0.0477(9) Uani 1 1 d . . .
H24A H -0.2666 -0.1097 0.2664 0.057 Uiso 1 1 calc R . .
H24B H -0.3545 -0.1418 0.1943 0.057 Uiso 1 1 calc R . .
C25 C -0.1752(3) -0.19591(19) 0.22591(16) 0.0364(7) Uani 1 1 d . . .
H25A H -0.2078 -0.2367 0.1921 0.044 Uiso 1 1 calc R . .
C26 C -0.0843(4) -0.1487(3) 0.19513(19) 0.0542(10) Uani 1 1 d . . .
H26A H -0.1317 -0.1291 0.1497 0.081 Uiso 1 1 calc R . .
H26B H -0.0108 -0.1786 0.1887 0.081 Uiso 1 1 calc R . .
H26C H -0.0517 -0.1077 0.2270 0.081 Uiso 1 1 calc R . .
C31 C 0.4979(4) -0.1564(3) 0.4745(2) 0.0703(14) Uani 1 1 d . . .
H31A H 0.5832 -0.1566 0.4629 0.105 Uiso 1 1 calc R . .
H31B H 0.4709 -0.2072 0.4805 0.105 Uiso 1 1 calc R . .
H31C H 0.5038 -0.1289 0.5181 0.105 Uiso 1 1 calc R . .
C32 C 0.3993(3) -0.1202(2) 0.4163(2) 0.0479(9) Uani 1 1 d . . .
H32A H 0.3950 -0.1514 0.3738 0.058 Uiso 1 1 calc R . .
C33 C 0.4357(4) -0.0426(3) 0.3966(3) 0.0666(13) Uani 1 1 d . . .
H33A H 0.4728 -0.0138 0.4395 0.080 Uiso 1 1 calc R . .
H33B H 0.5020 -0.0457 0.3685 0.080 Uiso 1 1 calc R . .
C34 C 0.3152(5) -0.0057(3) 0.3551(3) 0.0735(14) Uani 1 1 d . . .
H34A H 0.2906 -0.0270 0.3074 0.088 Uiso 1 1 calc R . .
H34B H 0.3316 0.0477 0.3508 0.088 Uiso 1 1 calc R . .
C35 C 0.2059(4) -0.0170(2) 0.39188(18) 0.0432(8) Uani 1 1 d . . .
H35A H 0.2192 0.0179 0.4323 0.052 Uiso 1 1 calc R . .
C36 C 0.0730(5) -0.0026(2) 0.3446(2) 0.0584(11) Uani 1 1 d . . .
H36A H 0.0685 0.0485 0.3280 0.088 Uiso 1 1 calc R . .
H36B H 0.0059 -0.0108 0.3707 0.088 Uiso 1 1 calc R . .
H36C H 0.0585 -0.0361 0.3044 0.088 Uiso 1 1 calc R . .
C41 C 0.2494(3) -0.09962(18) 0.52308(14) 0.0307(6) Uani 1 1 d . . .
C42 C 0.3335(3) -0.0464(2) 0.56016(18) 0.0455(9) Uani 1 1 d . . .
H42A H 0.3745 -0.0126 0.5353 0.055 Uiso 1 1 calc R . .
C43 C 0.3585(4) -0.0419(3) 0.63238(18) 0.0518(10) Uani 1 1 d . . .
H43A H 0.4146 -0.0046 0.6566 0.062 Uiso 1 1 calc R . .
C44 C 0.3016(3) -0.0918(3) 0.66905(17) 0.0458(9) Uani 1 1 d . . .
H44A H 0.3226 -0.0906 0.7188 0.055 Uiso 1 1 calc R . .
C45 C 0.2152(3) -0.1429(2) 0.63399(15) 0.0401(8) Uani 1 1 d . . .
H45A H 0.1755 -0.1764 0.6597 0.048 Uiso 1 1 calc R . .
C46 C 0.1838(3) -0.14652(19) 0.56033(14) 0.0309(6) Uani 1 1 d . . .
C51 C -0.1012(5) -0.0792(3) 0.5103(3) 0.0813(17) Uani 1 1 d . . .
H51A H -0.1822 -0.0597 0.5195 0.122 Uiso 1 1 calc R . .
H51B H -0.0999 -0.0698 0.4614 0.122 Uiso 1 1 calc R . .
H51C H -0.0264 -0.0548 0.5412 0.122 Uiso 1 1 calc R . .
C52 C -0.0938(3) -0.1598(3) 0.52377(18) 0.0505(10) Uani 1 1 d . . .
H52A H -0.1695 -0.1821 0.4896 0.061 Uiso 1 1 calc R . .
C53 C -0.1047(4) -0.1855(5) 0.5970(2) 0.094(3) Uani 1 1 d . . .
H53A H -0.0444 -0.1567 0.6337 0.113 Uiso 1 1 calc R . .
H53B H -0.1946 -0.1780 0.6024 0.113 Uiso 1 1 calc R . .
C54 C -0.0695(6) -0.2665(6) 0.6038(3) 0.116(3) Uani 1 1 d . . .
H54A H -0.0453 -0.2803 0.6540 0.139 Uiso 1 1 calc R . .
H54B H -0.1462 -0.2963 0.5807 0.139 Uiso 1 1 calc R . .
C55 C 0.0417(4) -0.2830(3) 0.57111(18) 0.0594(12) Uani 1 1 d . . .
H55A H 0.1234 -0.2829 0.6093 0.071 Uiso 1 1 calc R . .
C56 C 0.0292(7) -0.3597(3) 0.5359(2) 0.090(2) Uani 1 1 d . . .
H56A H 0.0228 -0.3975 0.5705 0.135 Uiso 1 1 calc R . .
H56B H 0.1061 -0.3691 0.5174 0.135 Uiso 1 1 calc R . .
H56C H -0.0493 -0.3609 0.4975 0.135 Uiso 1 1 calc R . .
Pd1' Pd 0.409664(17) 0.226102(11) 0.115094(9) 0.02202(5) Uani 1 1 d . . .
P1' P 0.51391(7) 0.12493(5) 0.17824(4) 0.02943(16) Uani 1 1 d . . .
P21' P 0.23286(6) 0.14669(4) 0.07582(4) 0.02298(14) Uani 1 1 d . . .
P31' P 0.54824(6) 0.29427(4) 0.06375(3) 0.02257(13) Uani 1 1 d . . .
P51' P 0.33442(7) 0.34000(5) 0.14447(4) 0.03077(17) Uani 1 1 d . . .
C1' C 0.5550(6) 0.1754(4) 0.3175(2) 0.0883(18) Uani 1 1 d . . .
H1D H 0.5962 0.1668 0.3670 0.132 Uiso 1 1 calc R . .
H1E H 0.4601 0.1771 0.3110 0.132 Uiso 1 1 calc R . .
H1F H 0.5857 0.2224 0.3026 0.132 Uiso 1 1 calc R . .
C2' C 0.5903(4) 0.1136(3) 0.27400(18) 0.0590(11) Uani 1 1 d . . .
H2B H 0.5580 0.0664 0.2899 0.071 Uiso 1 1 calc R . .
C3' C 0.7345(4) 0.1050(4) 0.2778(2) 0.0822(17) Uani 1 1 d . . .
H3C H 0.7737 0.1541 0.2744 0.099 Uiso 1 1 calc R . .
H3D H 0.7783 0.0829 0.3233 0.099 Uiso 1 1 calc R . .
C4' C 0.7549(4) 0.0574(3) 0.2202(3) 0.0720(14) Uani 1 1 d . . .
H4C H 0.7322 0.0056 0.2279 0.086 Uiso 1 1 calc R . .
H4D H 0.8470 0.0593 0.2170 0.086 Uiso 1 1 calc R . .
C5' C 0.6656(3) 0.0877(2) 0.1538(2) 0.0483(9) Uani 1 1 d . . .
H5B H 0.7115 0.1316 0.1402 0.058 Uiso 1 1 calc R . .
C6' C 0.6445(5) 0.0364(4) 0.0932(3) 0.0775(15) Uani 1 1 d . . .
H6D H 0.7290 0.0209 0.0855 0.116 Uiso 1 1 calc R . .
H6E H 0.5944 0.0615 0.0512 0.116 Uiso 1 1 calc R . .
H6F H 0.5963 -0.0070 0.1028 0.116 Uiso 1 1 calc R . .
C11' C 0.4023(3) 0.04511(17) 0.15889(14) 0.0266(6) Uani 1 1 d . . .
C12' C 0.4339(3) -0.02402(19) 0.18970(16) 0.0342(7) Uani 1 1 d . . .
H12B H 0.5141 -0.0297 0.2235 0.041 Uiso 1 1 calc R . .
C13' C 0.3531(3) -0.08413(19) 0.17281(18) 0.0375(7) Uani 1 1 d . . .
H13B H 0.3761 -0.1301 0.1956 0.045 Uiso 1 1 calc R . .
C14' C 0.2371(3) -0.07683(18) 0.12188(18) 0.0365(7) Uani 1 1 d . . .
H14B H 0.1811 -0.1181 0.1091 0.044 Uiso 1 1 calc R . .
C15' C 0.2037(3) -0.00932(18) 0.09000(16) 0.0321(6) Uani 1 1 d . . .
H15B H 0.1251 -0.0050 0.0547 0.038 Uiso 1 1 calc R . .
C16' C 0.2834(3) 0.05329(16) 0.10870(14) 0.0248(5) Uani 1 1 d . . .
C21' C 0.1253(4) 0.1422(2) 0.19735(18) 0.0465(9) Uani 1 1 d . . .
H21D H 0.0476 0.1508 0.2154 0.070 Uiso 1 1 calc R . .
H21E H 0.1966 0.1736 0.2225 0.070 Uiso 1 1 calc R . .
H21F H 0.1511 0.0903 0.2041 0.070 Uiso 1 1 calc R . .
C22' C 0.0947(3) 0.16083(18) 0.11904(16) 0.0317(6) Uani 1 1 d . . .
H22B H 0.0720 0.2144 0.1146 0.038 Uiso 1 1 calc R . .
C23' C -0.0225(3) 0.1189(2) 0.07578(18) 0.0401(7) Uani 1 1 d . . .
H23C H -0.1045 0.1387 0.0846 0.048 Uiso 1 1 calc R . .
H23D H -0.0163 0.0659 0.0884 0.048 Uiso 1 1 calc R . .
C24' C -0.0209(3) 0.1288(3) -0.00160(19) 0.0484(10) Uani 1 1 d . . .
H24C H -0.0734 0.0893 -0.0297 0.058 Uiso 1 1 calc R . .
H24D H -0.0612 0.1767 -0.0186 0.058 Uiso 1 1 calc R . .
C25' C 0.1183(3) 0.12616(18) -0.01188(14) 0.0295(6) Uani 1 1 d . . .
H25B H 0.1360 0.0750 -0.0261 0.035 Uiso 1 1 calc R . .
C26' C 0.1364(4) 0.1786(3) -0.06834(19) 0.0575(11) Uani 1 1 d . . .
H26D H 0.0755 0.1657 -0.1126 0.086 Uiso 1 1 calc R . .
H26E H 0.2260 0.1749 -0.0739 0.086 Uiso 1 1 calc R . .
H26F H 0.1195 0.2291 -0.0552 0.086 Uiso 1 1 calc R . .
C31' C 0.7831(3) 0.3250(3) 0.16815(17) 0.0521(10) Uani 1 1 d . . .
H31D H 0.8771 0.3161 0.1834 0.078 Uiso 1 1 calc R . .
H31E H 0.7403 0.3076 0.2043 0.078 Uiso 1 1 calc R . .
H31F H 0.7671 0.3779 0.1605 0.078 Uiso 1 1 calc R . .
C32' C 0.7287(2) 0.2838(2) 0.10077(14) 0.0309(6) Uani 1 1 d . . .
H32B H 0.7429 0.2303 0.1126 0.037 Uiso 1 1 calc R . .
C33' C 0.7939(2) 0.29782(19) 0.04036(15) 0.0329(6) Uani 1 1 d . . .
H33C H 0.8032 0.3514 0.0332 0.040 Uiso 1 1 calc R . .
H33D H 0.8814 0.2748 0.0501 0.040 Uiso 1 1 calc R . .
C34' C 0.7047(3) 0.26305(19) -0.02401(16) 0.0346(7) Uani 1 1 d . . .
H34C H 0.7054 0.2087 -0.0194 0.042 Uiso 1 1 calc R . .
H34D H 0.7345 0.2760 -0.0666 0.042 Uiso 1 1 calc R . .
C35' C 0.5678(2) 0.29296(18) -0.02904(13) 0.0273(5) Uani 1 1 d . . .
H35B H 0.5640 0.3449 -0.0466 0.033 Uiso 1 1 calc R . .
C36' C 0.4613(3) 0.2491(2) -0.07710(16) 0.0407(8) Uani 1 1 d . . .
H36D H 0.4753 0.2494 -0.1246 0.061 Uiso 1 1 calc R . .
H36E H 0.3764 0.2712 -0.0775 0.061 Uiso 1 1 calc R . .
H36F H 0.4631 0.1981 -0.0603 0.061 Uiso 1 1 calc R . .
C41' C 0.5243(3) 0.39348(17) 0.07912(15) 0.0269(6) Uani 1 1 d . . .
C42' C 0.5928(3) 0.44908(19) 0.05418(19) 0.0389(7) Uani 1 1 d . . .
H42B H 0.6513 0.4361 0.0261 0.047 Uiso 1 1 calc R . .
C43' C 0.5778(4) 0.5226(2) 0.0692(2) 0.0475(9) Uani 1 1 d . . .
H43B H 0.6258 0.5595 0.0519 0.057 Uiso 1 1 calc R . .
C44' C 0.4926(3) 0.5418(2) 0.1096(2) 0.0450(8) Uani 1 1 d . . .
H44B H 0.4824 0.5922 0.1206 0.054 Uiso 1 1 calc R . .
C45' C 0.4221(3) 0.4883(2) 0.13427(19) 0.0395(7) Uani 1 1 d . . .
H45B H 0.3632 0.5022 0.1618 0.047 Uiso 1 1 calc R . .
C46' C 0.4361(3) 0.41328(18) 0.11928(16) 0.0308(6) Uani 1 1 d . . .
C51' C 0.1673(4) 0.3997(3) 0.0193(2) 0.0634(12) Uani 1 1 d . . .
H51D H 0.0773 0.4118 -0.0045 0.095 Uiso 1 1 calc R . .
H51E H 0.2024 0.3638 -0.0087 0.095 Uiso 1 1 calc R . .
H51F H 0.2205 0.4446 0.0251 0.095 Uiso 1 1 calc R . .
C52' C 0.1700(3) 0.3670(2) 0.0906(2) 0.0457(8) Uani 1 1 d . . .
H52B H 0.1174 0.3206 0.0818 0.055 Uiso 1 1 calc R . .
C53' C 0.1084(4) 0.4151(3) 0.1412(3) 0.0627(12) Uani 1 1 d . . .
H53C H 0.1380 0.4669 0.1412 0.075 Uiso 1 1 calc R . .
H53D H 0.0121 0.4141 0.1261 0.075 Uiso 1 1 calc R . .
C54' C 0.1538(4) 0.3820(3) 0.2133(3) 0.0667(13) Uani 1 1 d . . .
H54C H 0.1155 0.3324 0.2147 0.080 Uiso 1 1 calc R . .
H54D H 0.1270 0.4136 0.2485 0.080 Uiso 1 1 calc R . .
C55' C 0.3014(4) 0.3771(2) 0.2282(2) 0.0501(9) Uani 1 1 d . . .
H55B H 0.3380 0.4281 0.2359 0.060 Uiso 1 1 calc R . .
C56' C 0.3594(5) 0.3311(3) 0.2930(2) 0.0617(12) Uani 1 1 d . . .
H56D H 0.3404 0.3547 0.3343 0.093 Uiso 1 1 calc R . .
H56E H 0.4540 0.3275 0.2990 0.093 Uiso 1 1 calc R . .
H56F H 0.3211 0.2816 0.2873 0.093 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
Pd1 P51 2.3001(7) . ?
Pd1 P1 2.3036(8) . ?
Pd1 P31 2.3127(8) . ?
Pd1 P21 2.3194(7) . ?
P1 C11 1.850(3) . ?
P1 C5 1.860(3) . ?
P1 C2 1.868(3) . ?
P21 C16 1.852(3) . ?
P21 C25 1.884(3) . ?
P21 C22 1.893(3) . ?
P31 C41 1.857(3) . ?
P31 C32 1.881(3) . ?
P31 C35 1.892(4) . ?
P51 C46 1.846(3) . ?
P51 C52 1.863(4) . ?
P51 C55 1.871(4) . ?
C1 C2 1.533(5) . ?
C2 C3 1.553(5) . ?
C3 C4 1.521(6) . ?
C4 C5 1.530(5) . ?
C5 C6 1.518(5) . ?
C11 C16 1.403(4) . ?
C11 C12 1.404(5) . ?
C12 C13 1.382(5) . ?
C13 C14 1.381(5) . ?
C14 C15 1.384(5) . ?
C15 C16 1.395(4) . ?
C21 C22 1.502(6) . ?
C22 C23 1.532(4) . ?
C23 C24 1.510(6) . ?
C24 C25 1.532(5) . ?
C25 C26 1.515(5) . ?
C31 C32 1.502(6) . ?
C32 C33 1.532(6) . ?
C33 C34 1.497(7) . ?
C34 C35 1.515(6) . ?
C35 C36 1.510(6) . ?
C41 C42 1.394(4) . ?
C41 C46 1.407(4) . ?
C42 C43 1.383(5) . ?
C43 C44 1.380(6) . ?
C44 C45 1.367(5) . ?
C45 C46 1.408(4) . ?
C51 C52 1.484(8) . ?
C52 C53 1.542(6) . ?
C53 C54 1.514(11) . ?
C54 C55 1.496(7) . ?
C55 C56 1.544(7) . ?
Pd1' P31' 2.3210(7) . ?
Pd1' P51' 2.3342(8) . ?
Pd1' P1' 2.3389(8) . ?
Pd1' P21' 2.3390(7) . ?
P1' C11' 1.848(3) . ?
P1' C2' 1.875(3) . ?
P1' C5' 1.902(4) . ?
P21' C16' 1.846(3) . ?
P21' C22' 1.872(3) . ?
P21' C25' 1.893(3) . ?
P31' C41' 1.852(3) . ?
P31' C32' 1.881(3) . ?
P31' C35' 1.884(2) . ?
P51' C46' 1.848(3) . ?
P51' C52' 1.871(3) . ?
P51' C55' 1.886(3) . ?
C1' C2' 1.508(7) . ?
C2' C3' 1.514(7) . ?
C3' C4' 1.479(8) . ?
C4' C5' 1.521(5) . ?
C5' C6' 1.486(7) . ?
C11' C12' 1.398(4) . ?
C11' C16' 1.408(4) . ?
C12' C13' 1.376(5) . ?
C13' C14' 1.392(4) . ?
C14' C15' 1.383(5) . ?
C15' C16' 1.410(4) . ?
C21' C22' 1.533(4) . ?
C22' C23' 1.528(4) . ?
C23' C24' 1.535(5) . ?
C24' C25' 1.531(4) . ?
C25' C26' 1.507(5) . ?
C31' C32' 1.510(5) . ?
C32' C33' 1.528(4) . ?
C33' C34' 1.523(4) . ?
C34' C35' 1.525(4) . ?
C35' C36' 1.513(4) . ?
C41' C42' 1.396(4) . ?
C41' C46' 1.403(4) . ?
C42' C43' 1.383(5) . ?
C43' C44' 1.379(5) . ?
C44' C45' 1.379(5) . ?
C45' C46' 1.406(5) . ?
C51' C52' 1.516(6) . ?
C52' C53' 1.575(6) . ?
C53' C54' 1.508(7) . ?
C54' C55' 1.519(5) . ?
C55' C56' 1.524(6) . ?
