#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:17:18 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179239 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/59/4315975.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_4315975
loop_
_publ_author_name
'Richard D. Adams'
'William C. Pearl'
_publ_section_title
;
 Reactions of the Platinum (Tri-tert-butylphosphine) Group with Bridging
 SbPh2 Ligands in Rhenium-Antimony Carbonyl Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6188
_journal_page_last               6195
_journal_paper_doi               10.1021/ic1008335
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'C38 H43 O8 P Pt Re2 Sb2'
_chemical_formula_weight         1469.68
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                109.2790(10)
_cell_angle_beta                 90.146(2)
_cell_angle_gamma                115.7900(10)
_cell_formula_units_Z            2
_cell_length_a                   11.9389(10)
_cell_length_b                   12.3349(10)
_cell_length_c                   17.6383(14)
_cell_measurement_reflns_used    5298
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      26.81
_cell_measurement_theta_min      2.46
_cell_volume                     2174.7(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0391
_diffrn_reflns_av_sigmaI/netI    0.0607
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            22823
_diffrn_reflns_theta_full        28.35
_diffrn_reflns_theta_max         28.35
_diffrn_reflns_theta_min         1.24
_diffrn_standards_decay_%        <1
_exptl_absorpt_coefficient_mu    10.059
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.558
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.244
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       bar
_exptl_crystal_F_000             1360
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.01
_refine_diff_density_max         2.582
_refine_diff_density_min         -1.068
_refine_diff_density_rms         0.256
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     482
_refine_ls_number_reflns         10760
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.011
_refine_ls_R_factor_all          0.0787
_refine_ls_R_factor_gt           0.0486
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0623P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1064
_refine_ls_wR_factor_ref         0.1258
_reflns_number_gt                7581
_reflns_number_total             10760
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic1008335_si_002_1.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to the built-in table from CIF Core dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_symmetry_cell_setting' tag value 'Triclicnic' was replaced with
'triclinic' value as specified in the replacement file
'/home/robertas/cod-tools/perl-scripts/inputs/replacement_values.lst'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_database_code               4315975
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
Pt1 Pt 0.15852(3) 0.22884(3) 0.23214(2) 0.03905(10) Uani 1 1 d D . .
Re1 Re 0.34333(4) 0.50315(3) 0.33903(2) 0.04019(10) Uani 1 1 d D . .
Re2 Re 0.25544(4) 0.49799(3) 0.09429(2) 0.04127(11) Uani 1 1 d . . .
Sb1 Sb 0.22419(6) 0.58989(5) 0.25543(4) 0.03947(15) Uani 1 1 d . . .
Sb2 Sb 0.34179(6) 0.39011(5) 0.18005(4) 0.03794(14) Uani 1 1 d . . .
P1 P -0.0086(2) 0.0997(2) 0.28870(15) 0.0417(5) Uani 1 1 d . . .
O1 O 0.1269(10) 0.0460(9) 0.0619(5) 0.098(3) Uani 1 1 d . . .
O11 O 0.2675(9) 0.6091(8) 0.5027(5) 0.081(3) Uani 1 1 d . . .
O12 O 0.4929(10) 0.3967(10) 0.4077(6) 0.099(3) Uani 1 1 d . . .
O13 O 0.5855(8) 0.7589(8) 0.3823(6) 0.093(3) Uani 1 1 d . . .
O21 O -0.0047(8) 0.2505(8) 0.0490(6) 0.083(3) Uani 1 1 d . . .
O22 O 0.3280(10) 0.3993(9) -0.0731(5) 0.090(3) Uani 1 1 d . . .
O23 O 0.5227(8) 0.7334(8) 0.1587(5) 0.074(2) Uani 1 1 d . . .
O24 O 0.1404(9) 0.6428(9) 0.0353(6) 0.086(3) Uani 1 1 d . . .
C1 C 0.1355(11) 0.1122(10) 0.1253(7) 0.061(3) Uani 1 1 d . . .
C11 C 0.2939(10) 0.5663(10) 0.4409(6) 0.052(2) Uani 1 1 d . . .
C12 C 0.4369(12) 0.4361(11) 0.3816(7) 0.065(3) Uani 1 1 d . . .
C13 C 0.4939(11) 0.6623(11) 0.3640(6) 0.056(3) Uani 1 1 d . . .
C21 C 0.0876(10) 0.3398(10) 0.0652(6) 0.051(2) Uani 1 1 d . . .
C22 C 0.2987(11) 0.4333(10) -0.0111(7) 0.059(3) Uani 1 1 d . . .
C23 C 0.4257(10) 0.6479(10) 0.1343(6) 0.050(2) Uani 1 1 d . . .
C24 C 0.1862(11) 0.5895(11) 0.0578(7) 0.063(3) Uani 1 1 d . . .
C25 C 0.0321(9) 0.5518(8) 0.2648(6) 0.043(2) Uani 1 1 d . . .
C26 C -0.0514(10) 0.5203(10) 0.1986(7) 0.056(3) Uani 1 1 d . . .
H26 H -0.0258 0.5141 0.1483 0.068 Uiso 1 1 calc R . .
C27 C -0.1753(11) 0.4974(11) 0.2065(9) 0.072(3) Uani 1 1 d . . .
H27 H -0.2320 0.4760 0.1613 0.086 Uiso 1 1 calc R . .
C28 C -0.2127(12) 0.5061(12) 0.2790(9) 0.076(4) Uani 1 1 d . . .
H28 H -0.2958 0.4891 0.2835 0.092 Uiso 1 1 calc R . .
C29 C -0.1307(13) 0.5395(14) 0.3455(9) 0.084(4) Uani 1 1 d . . .
H29 H -0.1572 0.5468 0.3957 0.101 Uiso 1 1 calc R . .
C30 C -0.0076(11) 0.5628(11) 0.3389(7) 0.063(3) Uani 1 1 d . . .
H30 H 0.0486 0.5860 0.3848 0.076 Uiso 1 1 calc R . .
C31 C 0.3090(9) 0.7965(9) 0.3062(8) 0.059(3) Uani 1 1 d . . .
C32 C 0.3354(12) 0.8707(12) 0.2577(9) 0.080(4) Uani 1 1 d . . .
H32 H 0.3135 0.8307 0.2013 0.096 Uiso 1 1 calc R . .
C33 C 0.3967(16) 1.0092(15) 0.2953(15) 0.120(8) Uani 1 1 d . . .
H33 H 0.4181 1.0593 0.2631 0.144 Uiso 1 1 calc R . .
C34 C 0.4237(15) 1.0678(15) 0.3783(16) 0.130(9) Uani 1 1 d . . .
H34 H 0.4614 1.1576 0.4028 0.157 Uiso 1 1 calc R . .
C35 C 0.3953(18) 0.9942(14) 0.4249(12) 0.132(8) Uani 1 1 d . . .
H35 H 0.4127 1.0336 0.4814 0.158 Uiso 1 1 calc R . .
C36 C 0.3407(15) 0.8614(12) 0.3887(9) 0.101(6) Uani 1 1 d . . .
H36 H 0.3247 0.8134 0.4221 0.121 Uiso 1 1 calc R . .
C37 C 0.4467(9) 0.2881(9) 0.1278(6) 0.046(2) Uani 1 1 d . . .
C38 C 0.4874(12) 0.2372(12) 0.1740(8) 0.070(3) Uani 1 1 d . . .
H38 H 0.4713 0.2484 0.2269 0.084 Uiso 1 1 calc R . .
C39 C 0.5533(14) 0.1688(14) 0.1401(10) 0.088(4) Uani 1 1 d . . .
H39 H 0.5780 0.1306 0.1697 0.106 Uiso 1 1 calc R . .
C40 C 0.5822(13) 0.1568(12) 0.0641(9) 0.082(4) Uani 1 1 d . . .
H40 H 0.6295 0.1141 0.0432 0.098 Uiso 1 1 calc R . .
C41 C 0.5422(13) 0.2068(12) 0.0193(9) 0.080(4) Uani 1 1 d . . .
H41 H 0.5597 0.1961 -0.0332 0.095 Uiso 1 1 calc R . .
C42 C 0.4748(11) 0.2746(11) 0.0513(7) 0.067(3) Uani 1 1 d . . .
H42 H 0.4489 0.3106 0.0206 0.080 Uiso 1 1 calc R . .
C43 C -0.1582(11) 0.0809(11) 0.2337(8) 0.066(3) Uani 1 1 d . . .
C44 C -0.1901(12) -0.0204(13) 0.1438(8) 0.089(4) Uani 1 1 d . . .
H44A H -0.2625 -0.0274 0.1147 0.134 Uiso 1 1 calc R . .
H44B H -0.2079 -0.1033 0.1454 0.134 Uiso 1 1 calc R . .
H44C H -0.1192 0.0080 0.1167 0.134 Uiso 1 1 calc R . .
C45 C -0.2726(12) 0.0449(14) 0.2819(10) 0.095(5) Uani 1 1 d . . .
H45A H -0.2473 0.1079 0.3365 0.142 Uiso 1 1 calc R . .
H45B H -0.2970 -0.0393 0.2836 0.142 Uiso 1 1 calc R . .
H45C H -0.3428 0.0444 0.2548 0.142 Uiso 1 1 calc R . .
C46 C -0.1271(11) 0.2168(10) 0.2319(9) 0.072(4) Uani 1 1 d . . .
H46A H -0.0395 0.2615 0.2286 0.109 Uiso 1 1 calc R . .
H46B H -0.1447 0.2662 0.2807 0.109 Uiso 1 1 calc R . .
H46C H -0.1781 0.2061 0.1852 0.109 Uiso 1 1 calc R . .
C47 C -0.0273(13) -0.0706(12) 0.2666(9) 0.078(4) Uani 1 1 d . . .
C48 C -0.1618(12) -0.1667(11) 0.2724(9) 0.085(4) Uani 1 1 d . . .
H48A H -0.2219 -0.1817 0.2290 0.128 Uiso 1 1 calc R . .
H48B H -0.1831 -0.1306 0.3239 0.128 Uiso 1 1 calc R . .
H48C H -0.1635 -0.2472 0.2678 0.128 Uiso 1 1 calc R . .
C49 C 0.0757(14) -0.0565(15) 0.3349(12) 0.113(6) Uani 1 1 d . . .
H49A H 0.0689 -0.1403 0.3266 0.169 Uiso 1 1 calc R . .
H49B H 0.0596 -0.0207 0.3884 0.169 Uiso 1 1 calc R . .
H49C H 0.1593 -0.0003 0.3300 0.169 Uiso 1 1 calc R . .
C50 C 0.0066(13) -0.1210(11) 0.1849(8) 0.075(4) Uani 1 1 d . . .
H50A H -0.0186 -0.2116 0.1701 0.112 Uiso 1 1 calc R . .
H50B H 0.0962 -0.0749 0.1878 0.112 Uiso 1 1 calc R . .
H50C H -0.0362 -0.1088 0.1448 0.112 Uiso 1 1 calc R . .
C51 C 0.0045(13) 0.1809(12) 0.4017(8) 0.073(3) Uani 1 1 d . . .
C52 C -0.0180(13) 0.3040(11) 0.4171(8) 0.086(4) Uani 1 1 d . . .
H52A H -0.0984 0.2775 0.3870 0.130 Uiso 1 1 calc R . .
H52B H 0.0476 0.3651 0.3994 0.130 Uiso 1 1 calc R . .
H52C H -0.0165 0.3437 0.4742 0.130 Uiso 1 1 calc R . .
C53 C -0.0859(14) 0.0923(15) 0.4446(8) 0.109(6) Uani 1 1 d . . .
H53A H -0.0644 0.1377 0.5026 0.163 Uiso 1 1 calc R . .
H53B H -0.0770 0.0147 0.4309 0.163 Uiso 1 1 calc R . .
H53C H -0.1717 0.0701 0.4265 0.163 Uiso 1 1 calc R . .
C54 C 0.1444(13) 0.2263(13) 0.4436(7) 0.079(4) Uani 1 1 d . . .
H54A H 0.1583 0.2797 0.5000 0.119 Uiso 1 1 calc R . .
H54B H 0.2045 0.2748 0.4163 0.119 Uiso 1 1 calc R . .
H54C H 0.1545 0.1516 0.4396 0.119 Uiso 1 1 calc R . .
H1 H 0.224(18) 0.350(8) 0.329(2) 0.33(14) Uiso 1 1 d D . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Re Re -1.0185 7.2310 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Pt1 P1 102.8(3) . . ?
C1 Pt1 Sb2 82.1(3) . . ?
P1 Pt1 Sb2 174.62(6) . . ?
C1 Pt1 Re1 137.8(3) . . ?
P1 Pt1 Re1 119.28(6) . . ?
Sb2 Pt1 Re1 56.006(17) . . ?
H1 Re1 C13 168(8) . . ?
H1 Re1 C11 86(4) . . ?
C13 Re1 C11 92.0(4) . . ?
H1 Re1 C12 79(8) . . ?
C13 Re1 C12 89.4(5) . . ?
C11 Re1 C12 93.9(5) . . ?
H1 Re1 Sb2 84.8(16) . . ?
C13 Re1 Sb2 99.8(3) . . ?
C11 Re1 Sb2 163.3(3) . . ?
C12 Re1 Sb2 98.0(3) . . ?
H1 Re1 Sb1 103(8) . . ?
C13 Re1 Sb1 89.1(3) . . ?
C11 Re1 Sb1 95.1(3) . . ?
C12 Re1 Sb1 170.9(3) . . ?
Sb2 Re1 Sb1 73.49(2) . . ?
H1 Re1 Pt1 30.3(9) . . ?
C13 Re1 Pt1 154.1(3) . . ?
C11 Re1 Pt1 113.9(3) . . ?
C12 Re1 Pt1 89.0(3) . . ?
Sb2 Re1 Pt1 54.925(16) . . ?
Sb1 Re1 Pt1 88.394(18) . . ?
C24 Re2 C22 92.4(5) . . ?
C24 Re2 C23 93.7(5) . . ?
C22 Re2 C23 91.8(4) . . ?
C24 Re2 C21 92.4(4) . . ?
C22 Re2 C21 91.8(4) . . ?
C23 Re2 C21 172.7(4) . . ?
C24 Re2 Sb2 167.1(4) . . ?
C22 Re2 Sb2 100.5(3) . . ?
C23 Re2 Sb2 85.5(3) . . ?
C21 Re2 Sb2 87.6(3) . . ?
C24 Re2 Sb1 95.0(4) . . ?
C22 Re2 Sb1 171.5(3) . . ?
C23 Re2 Sb1 83.4(3) . . ?
C21 Re2 Sb1 92.2(3) . . ?
Sb2 Re2 Sb1 72.14(2) . . ?
C31 Sb1 C25 97.7(3) . . ?
C31 Sb1 Re1 109.8(3) . . ?
C25 Sb1 Re1 120.2(2) . . ?
C31 Sb1 Re2 112.1(4) . . ?
C25 Sb1 Re2 112.0(3) . . ?
Re1 Sb1 Re2 105.13(2) . . ?
C37 Sb2 Pt1 104.6(3) . . ?
C37 Sb2 Re1 127.2(3) . . ?
Pt1 Sb2 Re1 69.069(19) . . ?
C37 Sb2 Re2 121.3(3) . . ?
Pt1 Sb2 Re2 112.57(2) . . ?
Re1 Sb2 Re2 108.22(2) . . ?
C51 P1 C43 108.9(6) . . ?
C51 P1 C47 108.8(6) . . ?
C43 P1 C47 107.4(6) . . ?
C51 P1 Pt1 113.2(4) . . ?
C43 P1 Pt1 103.7(4) . . ?
C47 P1 Pt1 114.4(4) . . ?
O1 C1 Pt1 177.1(11) . . ?
O11 C11 Re1 177.4(10) . . ?
O12 C12 Re1 179.5(10) . . ?
O13 C13 Re1 177.3(10) . . ?
O21 C21 Re2 178.7(9) . . ?
O22 C22 Re2 177.5(11) . . ?
O23 C23 Re2 178.6(9) . . ?
O24 C24 Re2 178.1(11) . . ?
C26 C25 C30 118.8(10) . . ?
C26 C25 Sb1 121.1(7) . . ?
C30 C25 Sb1 120.1(8) . . ?
C25 C26 C27 120.0(11) . . ?
C28 C27 C26 120.2(12) . . ?
C27 C28 C29 120.6(12) . . ?
C28 C29 C30 120.0(12) . . ?
C25 C30 C29 120.4(12) . . ?
C36 C31 C32 117.2(11) . . ?
C36 C31 Sb1 120.6(9) . . ?
C32 C31 Sb1 122.2(10) . . ?
C31 C32 C33 119.6(15) . . ?
C34 C33 C32 120.1(17) . . ?
C35 C34 C33 119.6(15) . . ?
C34 C35 C36 120.2(18) . . ?
C31 C36 C35 123.2(15) . . ?
C42 C37 C38 120.0(9) . . ?
C42 C37 Sb2 121.7(7) . . ?
C38 C37 Sb2 118.3(8) . . ?
C37 C38 C39 118.7(11) . . ?
C40 C39 C38 121.0(11) . . ?
C41 C40 C39 120.0(11) . . ?
C40 C41 C42 120.3(12) . . ?
C37 C42 C41 120.0(11) . . ?
C46 C43 C44 109.9(10) . . ?
C46 C43 C45 106.1(10) . . ?
C44 C43 C45 113.0(11) . . ?
C46 C43 P1 106.6(7) . . ?
C44 C43 P1 108.7(8) . . ?
C45 C43 P1 112.4(9) . . ?
C50 C47 C48 110.9(11) . . ?
C50 C47 C49 106.9(11) . . ?
C48 C47 C49 109.1(11) . . ?
C50 C47 P1 110.5(8) . . ?
C48 C47 P1 112.6(9) . . ?
C49 C47 P1 106.6(9) . . ?
C53 C51 C52 110.2(11) . . ?
C53 C51 C54 105.6(11) . . ?
C52 C51 C54 109.7(11) . . ?
C53 C51 P1 115.3(9) . . ?
C52 C51 P1 108.4(8) . . ?
C54 C51 P1 107.5(8) . . ?
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
Pt1 C1 1.887(11) . ?
Pt1 P1 2.410(2) . ?
Pt1 Sb2 2.6493(7) . ?
Pt1 Re1 3.0235(5) . ?
Re1 H1 1.75(2) . ?
Re1 C13 1.906(11) . ?
Re1 C11 1.914(10) . ?
Re1 C12 1.925(12) . ?
Re1 Sb2 2.6839(7) . ?
Re1 Sb1 2.7744(7) . ?
Re2 C24 1.913(12) . ?
Re2 C22 1.935(12) . ?
Re2 C23 1.978(11) . ?
Re2 C21 2.005(11) . ?
Re2 Sb2 2.7635(7) . ?
Re2 Sb1 2.7837(7) . ?
Sb1 C31 2.137(10) . ?
Sb1 C25 2.150(10) . ?
Sb2 C37 2.148(9) . ?
P1 C51 1.883(13) . ?
P1 C43 1.914(12) . ?
P1 C47 1.915(12) . ?
O1 C1 1.118(12) . ?
O11 C11 1.154(12) . ?
O12 C12 1.151(13) . ?
O13 C13 1.154(12) . ?
O21 C21 1.115(12) . ?
O22 C22 1.149(13) . ?
O23 C23 1.129(12) . ?
O24 C24 1.172(12) . ?
C25 C26 1.367(14) . ?
C25 C30 1.376(14) . ?
C26 C27 1.396(15) . ?
C27 C28 1.342(17) . ?
C28 C29 1.353(18) . ?
C29 C30 1.383(16) . ?
C31 C36 1.366(17) . ?
C31 C32 1.391(16) . ?
C32 C33 1.434(19) . ?
C33 C34 1.37(3) . ?
C34 C35 1.36(3) . ?
C35 C36 1.376(17) . ?
C37 C42 1.364(14) . ?
C37 C38 1.377(15) . ?
C38 C39 1.391(16) . ?
C39 C40 1.361(18) . ?
C40 C41 1.344(18) . ?
C41 C42 1.394(15) . ?
C43 C46 1.563(14) . ?
C43 C44 1.579(17) . ?
C43 C45 1.586(16) . ?
C47 C50 1.502(17) . ?
C47 C48 1.556(17) . ?
C47 C49 1.63(2) . ?
C51 C53 1.567(16) . ?
C51 C52 1.591(17) . ?
C51 C54 1.600(18) . ?
