#------------------------------------------------------------------------------
#$Date: 2016-03-21 06:17:09 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178501 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/30/4063001.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_4063001
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049818+
_journal_year                    2004
_chemical_absolute_configuration ad
_chemical_formula_sum            'C36 H58 Fe I2 P2 Pd'
_chemical_formula_weight         968.81
_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                 95.9040(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.2842(5)
_cell_length_b                   20.3819(11)
_cell_length_c                   21.5571(12)
_cell_measurement_temperature    100(2)
_cell_volume                     4057.6(4)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.586
_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_original_sg_symbol_H-M      'P 21'
_cod_database_code               4063001
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 1.72486(5) 0.78797(3) 1.54698(3) 0.02931(12) Uani 1 1 d . . .
Fe1 Fe 1.34569(11) 0.66812(6) 1.49849(5) 0.0325(2) Uani 1 1 d . . .
I1 I 1.98765(5) 0.77068(3) 1.60689(2) 0.03637(12) Uani 1 1 d . . .
I2 I 1.82859(7) 0.88964(4) 1.49223(5) 0.0888(3) Uani 1 1 d . . .
P1 P 1.67377(16) 0.68612(9) 1.58466(7) 0.0214(3) Uani 1 1 d . . .
P2 P 1.4957(2) 0.81680(12) 1.50810(11) 0.0401(5) Uani 1 1 d . . .
C1 C 1.4966(7) 0.6495(4) 1.5710(3) 0.0249(13) Uani 1 1 d . . .
C2 C 1.4583(9) 0.5909(4) 1.5374(4) 0.0363(17) Uani 1 1 d . . .
H2A H 1.5272 0.5636 1.5157 0.044 Uiso 1 1 calc R . .
C3 C 1.3084(8) 0.5775(4) 1.5377(4) 0.0384(17) Uani 1 1 d . . .
H3A H 1.2538 0.5398 1.5170 0.046 Uiso 1 1 calc R . .
C4 C 1.2531(7) 0.6267(4) 1.5715(3) 0.0297(14) Uani 1 1 d . . .
H4A H 1.1489 0.6312 1.5788 0.036 Uiso 1 1 calc R . .
C5 C 1.3647(7) 0.6722(4) 1.5929(3) 0.0250(13) Uani 1 1 d . . .
H5A H 1.3531 0.7121 1.6188 0.030 Uiso 1 1 calc R . .
C6 C 1.3854(8) 0.7577(5) 1.4652(4) 0.041(2) Uani 1 1 d . . .
C7 C 1.4355(9) 0.7058(5) 1.4252(3) 0.044(2) Uani 1 1 d . . .
H7A H 1.5381 0.6991 1.4165 0.052 Uiso 1 1 calc R . .
C8 C 1.3208(11) 0.6677(7) 1.4023(4) 0.062(3) Uani 1 1 d . . .
H8A H 1.3248 0.6285 1.3748 0.074 Uiso 1 1 calc R . .
C9 C 1.1920(10) 0.6940(7) 1.4272(4) 0.069(4) Uani 1 1 d . . .
H9A H 1.0920 0.6755 1.4198 0.083 Uiso 1 1 calc R . .
C10 C 1.2317(8) 0.7474(5) 1.4632(4) 0.044(2) Uani 1 1 d . . .
H10A H 1.1646 0.7742 1.4864 0.053 Uiso 1 1 calc R . .
C11 C 1.7768(7) 0.6286(4) 1.5435(3) 0.0291(14) Uani 1 1 d . . .
C12 C 1.7961(9) 0.6423(5) 1.4800(3) 0.0399(18) Uani 1 1 d . . .
H12A H 1.7618 0.6825 1.4617 0.048 Uiso 1 1 calc R . .
C13 C 1.8647(10) 0.5973(5) 1.4447(4) 0.049(2) Uani 1 1 d . . .
H13A H 1.8726 0.6056 1.4018 0.059 Uiso 1 1 calc R . .
C14 C 1.9212(8) 0.5407(5) 1.4722(4) 0.0401(19) Uani 1 1 d . . .
H14A H 1.9676 0.5099 1.4478 0.048 Uiso 1 1 calc R . .
C15 C 1.9122(8) 0.5280(4) 1.5333(4) 0.0358(17) Uani 1 1 d . . .
H15A H 1.9565 0.4898 1.5519 0.043 Uiso 1 1 calc R . .
C16 C 1.8359(7) 0.5720(4) 1.5700(3) 0.0301(15) Uani 1 1 d . . .
H16A H 1.8262 0.5623 1.6125 0.036 Uiso 1 1 calc R . .
C17 C 1.7194(7) 0.6729(3) 1.6692(3) 0.0253(13) Uani 1 1 d . . .
H17A H 1.8272 0.6696 1.6772 0.030 Uiso 1 1 calc R . .
C18 C 1.6548(7) 0.6097(3) 1.6942(3) 0.0244(12) Uani 1 1 d . . .
H18A H 1.5671 0.6213 1.7143 0.029 Uiso 1 1 calc R . .
H18B H 1.6243 0.5806 1.6585 0.029 Uiso 1 1 calc R . .
C19 C 1.7585(8) 0.5718(4) 1.7410(3) 0.0325(15) Uani 1 1 d . . .
H19A H 1.8459 0.5595 1.7210 0.039 Uiso 1 1 calc R . .
H19B H 1.7894 0.6006 1.7769 0.039 Uiso 1 1 calc R . .
C20 C 1.6911(10) 0.5109(4) 1.7644(4) 0.0423(19) Uani 1 1 d . . .
H20A H 1.6498 0.4846 1.7282 0.051 Uiso 1 1 calc R . .
H20B H 1.6105 0.5237 1.7886 0.051 Uiso 1 1 calc R . .
C21 C 1.7973(10) 0.4688(5) 1.8050(4) 0.050(2) Uani 1 1 d . . .
H21A H 1.7473 0.4299 1.8188 0.075 Uiso 1 1 calc R . .
H21B H 1.8368 0.4942 1.8415 0.075 Uiso 1 1 calc R . .
H21C H 1.8764 0.4552 1.7811 0.075 Uiso 1 1 calc R . .
C22 C 1.6717(7) 0.7343(4) 1.7044(3) 0.0295(13) Uani 1 1 d . . .
H22A H 1.7120 0.7738 1.6857 0.035 Uiso 1 1 calc R . .
H22B H 1.5648 0.7377 1.6978 0.035 Uiso 1 1 calc R . .
C23 C 1.7180(9) 0.7348(6) 1.7745(3) 0.047(2) Uani 1 1 d . . .
H23A H 1.6842 0.7752 1.7927 0.070 Uiso 1 1 calc R . .
H23B H 1.8238 0.7324 1.7817 0.070 Uiso 1 1 calc R . .
H23C H 1.6757 0.6968 1.7939 0.070 Uiso 1 1 calc R . .
C24 C 1.4355(10) 0.8966(5) 1.4689(5) 0.058(3) Uani 1 1 d . . .
H24A H 1.5124 0.9306 1.4777 0.069 Uiso 1 1 calc R . .
C25 C 1.3211(11) 0.9038(6) 1.5149(6) 0.069(4) Uani 1 1 d . . .
H25A H 1.2231 0.8926 1.4953 0.083 Uiso 1 1 calc R . .
H25B H 1.3204 0.9487 1.5325 0.083 Uiso 1 1 calc R . .
C26 C 1.3780(9) 0.8521(4) 1.5653(4) 0.044(2) Uani 1 1 d . . .
H26A H 1.3012 0.8211 1.5764 0.053 Uiso 1 1 calc R . .
C27 C 1.3847(11) 0.8962(6) 1.4014(5) 0.068(3) Uani 1 1 d . . .
H27A H 1.3440 0.9400 1.3900 0.082 Uiso 1 1 calc R . .
H27D H 1.3050 0.8640 1.3942 0.082 Uiso 1 1 calc R . .
C28 C 1.5029(15) 0.8794(9) 1.3557(6) 0.094(5) Uani 1 1 d . . .
H28A H 1.4578 0.8795 1.3126 0.140 Uiso 1 1 calc R . .
H28B H 1.5438 0.8359 1.3659 0.140 Uiso 1 1 calc R . .
H28C H 1.5802 0.9123 1.3604 0.140 Uiso 1 1 calc R . .
C29 C 1.4620(10) 0.8839(5) 1.6222(6) 0.059(3) Uani 1 1 d . . .
H29A H 1.5174 0.8498 1.6472 0.070 Uiso 1 1 calc R . .
H29B H 1.5318 0.9161 1.6083 0.070 Uiso 1 1 calc R . .
C30 C 1.3595(15) 0.9181(7) 1.6620(7) 0.083(4) Uani 1 1 d . . .
H30A H 1.4151 0.9381 1.6983 0.125 Uiso 1 1 calc R . .
H30B H 1.2913 0.8860 1.6762 0.125 Uiso 1 1 calc R . .
H30C H 1.3058 0.9522 1.6374 0.125 Uiso 1 1 calc R . .
Pd1' Pd 0.74133(5) 0.23561(2) 1.00812(2) 0.02093(10) Uani 1 1 d . . .
Fe1' Fe 0.37881(10) 0.10559(5) 0.98419(4) 0.02432(19) Uani 1 1 d . . .
I1' I 1.00838(4) 0.23204(2) 1.06638(2) 0.02930(10) Uani 1 1 d . . .
I2' I 0.82989(6) 0.32188(3) 0.93037(3) 0.05154(17) Uani 1 1 d . . .
P1' P 0.69832(16) 0.14473(8) 1.06720(7) 0.0204(3) Uani 1 1 d . . .
P2' P 0.50995(18) 0.25514(9) 0.96753(8) 0.0250(3) Uani 1 1 d . . .
C1' C 0.5233(7) 0.1037(3) 1.0604(3) 0.0230(13) Uani 1 1 d . . .
C2' C 0.4956(7) 0.0385(4) 1.0389(3) 0.0284(14) Uani 1 1 d . . .
H2'A H 0.5688 0.0073 1.0248 0.034 Uiso 1 1 calc R . .
C3' C 0.3445(7) 0.0255(4) 1.0405(3) 0.0295(15) Uani 1 1 d . . .
H3'A H 0.2934 -0.0160 1.0266 0.035 Uiso 1 1 calc R . .
C4' C 0.2787(7) 0.0823(4) 1.0624(3) 0.0293(15) Uani 1 1 d . . .
H4'A H 0.1733 0.0876 1.0669 0.035 Uiso 1 1 calc R . .
C5' C 0.3883(7) 0.1316(3) 1.0763(3) 0.0248(13) Uani 1 1 d . . .
H5'A H 0.3739 0.1765 1.0932 0.030 Uiso 1 1 calc R . .
C6' C 0.4114(7) 0.1860(4) 0.9333(3) 0.0258(13) Uani 1 1 d . . .
C7' C 0.4777(8) 0.1303(4) 0.9075(3) 0.0319(15) Uani 1 1 d . . .
H7'A H 0.5833 0.1254 0.9030 0.038 Uiso 1 1 calc R . .
C8' C 0.3687(9) 0.0826(4) 0.8898(3) 0.0378(17) Uani 1 1 d . . .
H8'A H 0.3840 0.0384 0.8715 0.045 Uiso 1 1 calc R . .
C9' C 0.2340(8) 0.1094(4) 0.9045(3) 0.0352(16) Uani 1 1 d . . .
H9'A H 0.1383 0.0864 0.8986 0.042 Uiso 1 1 calc R . .
C10' C 0.2587(7) 0.1724(4) 0.9313(3) 0.0296(14) Uani 1 1 d . . .
H10B H 0.1836 0.2022 0.9459 0.036 Uiso 1 1 calc R . .
C11' C 0.8110(7) 0.0794(3) 1.0417(3) 0.0240(13) Uani 1 1 d . . .
C12' C 0.8406(7) 0.0786(4) 0.9783(3) 0.0300(14) Uani 1 1 d . . .
H12B H 0.8114 0.1143 0.9516 0.036 Uiso 1 1 calc R . .
C13' C 0.9128(8) 0.0250(4) 0.9554(4) 0.0356(17) Uani 1 1 d . . .
H13B H 0.9306 0.0243 0.9128 0.043 Uiso 1 1 calc R . .
C14' C 0.9584(7) -0.0265(4) 0.9932(4) 0.0351(17) Uani 1 1 d . . .
H14B H 1.0060 -0.0628 0.9768 0.042 Uiso 1 1 calc R . .
C15' C 0.9344(7) -0.0253(4) 1.0569(4) 0.0319(15) Uani 1 1 d . . .
H15B H 0.9692 -0.0601 1.0837 0.038 Uiso 1 1 calc R . .
C16' C 0.8590(7) 0.0274(4) 1.0806(3) 0.0301(15) Uani 1 1 d . . .
H16B H 0.8406 0.0276 1.1232 0.036 Uiso 1 1 calc R . .
C17' C 0.7423(6) 0.1559(3) 1.1528(3) 0.0206(12) Uani 1 1 d . . .
H17B H 0.8502 0.1556 1.1613 0.025 Uiso 1 1 calc R . .
C18' C 0.6834(7) 0.1001(3) 1.1926(3) 0.0256(13) Uani 1 1 d . . .
H18C H 0.5978 0.1166 1.2117 0.031 Uiso 1 1 calc R . .
H18D H 0.6513 0.0631 1.1649 0.031 Uiso 1 1 calc R . .
C19' C 0.7957(7) 0.0753(4) 1.2441(3) 0.0298(14) Uani 1 1 d . . .
H19C H 0.8782 0.0560 1.2248 0.036 Uiso 1 1 calc R . .
H19D H 0.8328 0.1129 1.2701 0.036 Uiso 1 1 calc R . .
C20' C 0.7356(8) 0.0242(4) 1.2857(3) 0.0303(15) Uani 1 1 d . . .
H20C H 0.6807 -0.0090 1.2594 0.036 Uiso 1 1 calc R . .
H20D H 0.6678 0.0456 1.3120 0.036 Uiso 1 1 calc R . .
C21' C 0.8553(9) -0.0096(5) 1.3275(4) 0.048(2) Uani 1 1 d . . .
H21D H 0.8125 -0.0416 1.3542 0.072 Uiso 1 1 calc R . .
H21E H 0.9098 0.0231 1.3536 0.072 Uiso 1 1 calc R . .
H21F H 0.9207 -0.0322 1.3017 0.072 Uiso 1 1 calc R . .
C22' C 0.6897(8) 0.2246(4) 1.1713(3) 0.0311(15) Uani 1 1 d . . .
H22C H 0.7270 0.2579 1.1436 0.037 Uiso 1 1 calc R . .
H22D H 0.5826 0.2258 1.1647 0.037 Uiso 1 1 calc R . .
C23' C 0.7379(10) 0.2423(4) 1.2384(3) 0.0430(19) Uani 1 1 d . . .
H23D H 0.7017 0.2861 1.2474 0.064 Uiso 1 1 calc R . .
H23E H 0.8440 0.2422 1.2450 0.064 Uiso 1 1 calc R . .
H23F H 0.6994 0.2101 1.2662 0.064 Uiso 1 1 calc R . .
C24' C 0.4503(9) 0.3262(4) 0.9159(4) 0.0397(19) Uani 1 1 d . . .
H24B H 0.5212 0.3630 0.9234 0.048 Uiso 1 1 calc R . .
C25' C 0.3248(9) 0.3368(5) 0.9550(4) 0.045(2) Uani 1 1 d . . .
H25C H 0.2343 0.3163 0.9358 0.054 Uiso 1 1 calc R . .
H25D H 0.3078 0.3839 0.9626 0.054 Uiso 1 1 calc R . .
C26' C 0.3870(7) 0.3003(4) 1.0157(3) 0.0279(14) Uani 1 1 d . . .
H26B H 0.3144 0.2713 1.0333 0.034 Uiso 1 1 calc R . .
C27' C 0.4194(10) 0.3147(5) 0.8470(4) 0.047(2) Uani 1 1 d . . .
H27B H 0.3479 0.2788 0.8394 0.056 Uiso 1 1 calc R . .
H27C H 0.5095 0.3012 0.8296 0.056 Uiso 1 1 calc R . .
C28' C 0.3598(13) 0.3773(6) 0.8141(5) 0.065(3) Uani 1 1 d . . .
H28D H 0.3393 0.3689 0.7693 0.098 Uiso 1 1 calc R . .
H28E H 0.4317 0.4125 0.8208 0.098 Uiso 1 1 calc R . .
H28F H 0.2705 0.3905 0.8313 0.098 Uiso 1 1 calc R . .
C29' C 0.4643(8) 0.3453(4) 1.0634(4) 0.0366(17) Uani 1 1 d . . .
H29C H 0.5294 0.3744 1.0424 0.044 Uiso 1 1 calc R . .
H29D H 0.5252 0.3185 1.0942 0.044 Uiso 1 1 calc R . .
C30' C 0.3631(10) 0.3870(5) 1.0976(4) 0.046(2) Uani 1 1 d . . .
H30D H 0.4199 0.4151 1.1278 0.070 Uiso 1 1 calc R . .
H30E H 0.3000 0.3585 1.1195 0.070 Uiso 1 1 calc R . .
H30F H 0.3039 0.4144 1.0675 0.070 Uiso 1 1 calc R . .
C1S C 0.8175(17) 0.4124(9) 1.1341(7) 0.094(4) Uiso 1 1 d . . .
H1SA H 0.8105 0.3791 1.1011 0.141 Uiso 1 1 calc R . .
H1SB H 0.8124 0.4562 1.1153 0.141 Uiso 1 1 calc R . .
H1SC H 0.7372 0.4068 1.1598 0.141 Uiso 1 1 calc R . .
C5S C 1.065(2) 0.4955(12) 1.3113(10) 0.129(7) Uiso 1 1 d . . .
H5SA H 1.0503 0.5391 1.2915 0.155 Uiso 1 1 calc R . .
H5SB H 0.9797 0.4833 1.3330 0.155 Uiso 1 1 calc R . .
C4S C 1.110(4) 0.4375(19) 1.2616(15) 0.212(14) Uiso 1 1 d . . .
H4SA H 1.1947 0.4482 1.2391 0.254 Uiso 1 1 calc R . .
H4SB H 1.1158 0.3924 1.2788 0.254 Uiso 1 1 calc R . .
C3S C 0.950(3) 0.4578(15) 1.2245(11) 0.164(9) Uiso 1 1 d . . .
H3SA H 0.8690 0.4512 1.2502 0.197 Uiso 1 1 calc R . .
H3SB H 0.9485 0.5030 1.2076 0.197 Uiso 1 1 calc R . .
C2S C 0.957(2) 0.4048(12) 1.1735(9) 0.121(6) Uiso 1 1 d . . .
H2SA H 1.0398 0.4126 1.1490 0.145 Uiso 1 1 calc R . .
H2SB H 0.9658 0.3604 1.1922 0.145 Uiso 1 1 calc R . .
C6S C 1.195(4) 0.4907(19) 1.3496(15) 0.220(15) Uiso 1 1 d . . .
H6SA H 1.1961 0.5233 1.3831 0.330 Uiso 1 1 calc R . .
H6SB H 1.2758 0.4989 1.3248 0.330 Uiso 1 1 calc R . .
H6SC H 1.2039 0.4466 1.3677 0.330 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 P2 2.282(2) . ?
Pd1 P1 2.2965(17) . ?
Pd1 I2 2.6168(8) . ?
Pd1 I1 2.6640(7) . ?
Fe1 C7 2.012(7) . ?
Fe1 C6 2.009(8) . ?
Fe1 C2 2.023(9) . ?
Fe1 C5 2.026(6) . ?
Fe1 C1 2.026(7) . ?
Fe1 C10 2.036(8) . ?
Fe1 C4 2.052(7) . ?
Fe1 C9 2.056(9) . ?
Fe1 C8 2.062(8) . ?
Fe1 C3 2.076(9) . ?
P1 C11 1.803(7) . ?
P1 C1 1.803(7) . ?
P1 C17 1.849(6) . ?
P2 C6 1.778(9) . ?
P2 C26 1.874(9) . ?
P2 C24 1.890(9) . ?
C1 C2 1.422(10) . ?
C1 C5 1.434(9) . ?
C2 C3 1.419(11) . ?
C3 C4 1.371(12) . ?
C4 C5 1.430(10) . ?
C6 C10 1.439(10) . ?
C6 C7 1.469(14) . ?
C7 C8 1.368(14) . ?
C8 C9 1.462(16) . ?
C9 C10 1.366(16) . ?
C11 C16 1.375(11) . ?
C11 C12 1.428(10) . ?
C12 C13 1.386(14) . ?
C13 C14 1.376(14) . ?
C14 C15 1.354(12) . ?
C15 C16 1.431(10) . ?
C17 C18 1.541(9) . ?
C17 C22 1.551(10) . ?
C18 C19 1.531(9) . ?
C19 C20 1.498(11) . ?
C20 C21 1.517(11) . ?
C22 C23 1.527(10) . ?
C24 C27 1.483(16) . ?
C24 C25 1.532(15) . ?
C25 C26 1.566(12) . ?
C26 C29 1.528(15) . ?
C27 C28 1.586(17) . ?
C29 C30 1.515(15) . ?
Pd1' P2' 2.2698(17) . ?
Pd1' P1' 2.3060(17) . ?
Pd1' I2' 2.6192(7) . ?
Pd1' I1' 2.6626(6) . ?
Fe1' C1' 2.012(6) . ?
Fe1' C6' 2.013(7) . ?
Fe1' C10' 2.034(7) . ?
Fe1' C7' 2.036(7) . ?
Fe1' C2' 2.043(7) . ?
Fe1' C5' 2.047(6) . ?
Fe1' C4' 2.063(6) . ?
Fe1' C9' 2.071(7) . ?
Fe1' C3' 2.079(7) . ?
Fe1' C8' 2.081(7) . ?
P1' C11' 1.813(7) . ?
P1' C1' 1.819(6) . ?
P1' C17' 1.862(6) . ?
P2' C6' 1.797(7) . ?
P2' C26' 1.864(7) . ?
P2' C24' 1.875(7) . ?
C1' C2' 1.423(10) . ?
C1' C5' 1.448(9) . ?
C2' C3' 1.432(9) . ?
C3' C4' 1.413(11) . ?
C4' C5' 1.439(10) . ?
C6' C7' 1.430(11) . ?
C6' C10' 1.441(9) . ?
C7' C8' 1.427(10) . ?
C8' C9' 1.430(12) . ?
C9' C10' 1.418(11) . ?
C11' C16' 1.397(10) . ?
C11' C12' 1.422(10) . ?
C12' C13' 1.398(11) . ?
C13' C14' 1.369(12) . ?
C14' C15' 1.414(11) . ?
C15' C16' 1.406(10) . ?
C17' C22' 1.548(10) . ?
C17' C18' 1.558(9) . ?
C18' C19' 1.530(9) . ?
C19' C20' 1.517(10) . ?
C20' C21' 1.522(10) . ?
C22' C23' 1.514(10) . ?
C24' C27' 1.501(12) . ?
C24' C25' 1.522(12) . ?
C25' C26' 1.563(10) . ?
C26' C29' 1.504(11) . ?
C27' C28' 1.535(13) . ?
C29' C30' 1.514(11) . ?
C1S C2S 1.48(2) . ?
C5S C6S 1.39(3) . ?
C5S C4S 1.68(4) . ?
C4S C3S 1.66(4) . ?
C3S C2S 1.55(3) . ?
