#------------------------------------------------------------------------------
#$Date: 2016-03-21 13:02:18 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178690 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/01/4080117.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_4080117
loop_
_publ_author_name
'Basalov, Ivan V.'
'Lyubov, Dmitry M.'
'Fukin, Georgy K.'
'Cherkasov, Anton V.'
'Trifonov, Alexander A.'
_publ_section_title
;
 Reactivity of Ytterbium(II) Hydride. Redox Reactions: Ytterbium(II) vs
 Hydrido Ligand. Metathesis of the Yb--H Bond
;
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1507
_journal_paper_doi               10.1021/om400015k
_journal_volume                  32
_journal_year                    2013
_chemical_formula_sum            'C86 H114 N4 S4 Yb2'
_chemical_formula_weight         1678.13
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 114.938(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   15.4161(4)
_cell_length_b                   17.4607(4)
_cell_length_c                   15.9777(4)
_cell_measurement_reflns_used    9330
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      32.5699
_cell_measurement_theta_min      3.0383
_cell_volume                     3899.82(19)
_computing_cell_refinement       'CrysAlisPro, Agilent Technologies'
_computing_data_collection       'CrysAlisPro, Agilent Technologies'
_computing_data_reduction        'CrysAlisPro, Agilent Technologies'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.1436
_diffrn_reflns_av_sigmaI/netI    0.1083
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            79002
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         3.04
_exptl_absorpt_coefficient_mu    2.537
_exptl_absorpt_correction_T_max  0.9053
_exptl_absorpt_correction_T_min  0.6309
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SCALE3 ABSPACK, CrysAlisPro, Agilent Technologies (2012) 
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.429
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1724
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.695
_refine_diff_density_min         -1.847
_refine_diff_density_rms         0.177
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.945
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     444
_refine_ls_number_reflns         11337
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.945
_refine_ls_R_factor_all          0.0910
_refine_ls_R_factor_gt           0.0500
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0100P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0667
_refine_ls_wR_factor_ref         0.0742
_reflns_number_gt                7824
_reflns_number_total             11337
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om400015k_si_003.cif
_cod_data_source_block           ybamsph
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        3899.81(19)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               4080117
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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
Yb1 Yb -0.021409(12) -0.008248(10) 0.592003(12) 0.01184(5) Uani 1 1 d .
S1 S -0.00133(8) 0.12410(6) 0.51459(8) 0.0145(2) Uani 1 1 d .
S2 S 0.15783(6) 0.00119(6) 0.58914(6) 0.0125(2) Uani 1 1 d .
N1 N 0.00876(19) -0.0031(2) 0.74507(19) 0.0113(7) Uani 1 1 d .
N2 N -0.1338(2) -0.03909(19) 0.6453(2) 0.0135(7) Uani 1 1 d .
C1 C -0.0786(3) -0.0262(2) 0.7350(3) 0.0142(9) Uani 1 1 d .
C2 C -0.1121(3) -0.0300(2) 0.8135(3) 0.0170(9) Uani 1 1 d .
C3 C -0.2165(3) -0.0551(3) 0.7860(3) 0.0219(10) Uani 1 1 d .
H3A H -0.2318 -0.0505 0.8394 0.033 Uiso 1 1 calc R
H3B H -0.2245 -0.1085 0.7651 0.033 Uiso 1 1 calc R
H3C H -0.2596 -0.0223 0.7360 0.033 Uiso 1 1 calc R
C4 C -0.1029(3) 0.0508(3) 0.8540(3) 0.0223(11) Uani 1 1 d .
H4A H -0.1332 0.0523 0.8969 0.034 Uiso 1 1 calc R
H4B H -0.1344 0.0876 0.8040 0.034 Uiso 1 1 calc R
H4C H -0.0350 0.0641 0.8870 0.034 Uiso 1 1 calc R
C5 C -0.0497(3) -0.0853(3) 0.8906(3) 0.0274(12) Uani 1 1 d .
H5A H -0.0711 -0.0850 0.9403 0.041 Uiso 1 1 calc R
H5B H 0.0173 -0.0689 0.9151 0.041 Uiso 1 1 calc R
H5C H -0.0555 -0.1372 0.8654 0.041 Uiso 1 1 calc R
C6 C 0.0924(2) 0.0045(2) 0.8301(2) 0.0110(8) Uani 1 1 d .
C7 C 0.1200(3) 0.0758(2) 0.8740(3) 0.0137(9) Uani 1 1 d .
C8 C 0.2010(3) 0.0799(2) 0.9578(3) 0.0162(9) Uani 1 1 d .
H8A H 0.2188 0.1277 0.9890 0.019 Uiso 1 1 calc R
C9 C 0.2560(3) 0.0155(2) 0.9962(3) 0.0155(9) Uani 1 1 d .
H9A H 0.3089 0.0186 1.0549 0.019 Uiso 1 1 calc R
C10 C 0.2337(3) -0.0530(2) 0.9489(3) 0.0176(10) Uani 1 1 d .
H10A H 0.2738 -0.0962 0.9738 0.021 Uiso 1 1 calc R
C11 C 0.1528(3) -0.0598(2) 0.8646(3) 0.0159(9) Uani 1 1 d .
C12 C 0.0675(3) 0.1508(2) 0.8306(3) 0.0178(9) Uani 1 1 d .
H12A H 0.0025 0.1371 0.7828 0.021 Uiso 1 1 calc R
C13 C 0.1223(3) 0.1908(3) 0.7814(3) 0.0254(11) Uani 1 1 d .
H13A H 0.0893 0.2384 0.7528 0.038 Uiso 1 1 calc R
H13B H 0.1250 0.1569 0.7337 0.038 Uiso 1 1 calc R
H13C H 0.1875 0.2027 0.8264 0.038 Uiso 1 1 calc R
C14 C 0.0548(3) 0.2058(2) 0.8984(3) 0.0249(11) Uani 1 1 d .
H14A H 0.0189 0.1803 0.9285 0.037 Uiso 1 1 calc R
H14B H 0.0196 0.2511 0.8652 0.037 Uiso 1 1 calc R
H14C H 0.1177 0.2212 0.9451 0.037 Uiso 1 1 calc R
C15 C 0.1390(3) -0.1353(3) 0.8118(3) 0.0267(11) Uani 1 1 d .
H15A H 0.0790 -0.1309 0.7536 0.032 Uiso 1 1 calc R
C16 C 0.1289(4) -0.2042(3) 0.8642(4) 0.0383(14) Uani 1 1 d .
H16A H 0.0804 -0.1938 0.8873 0.057 Uiso 1 1 calc R
H16B H 0.1903 -0.2149 0.9163 0.057 Uiso 1 1 calc R
H16C H 0.1094 -0.2488 0.8230 0.057 Uiso 1 1 calc R
C17 C 0.2215(4) -0.1496(3) 0.7846(3) 0.0335(13) Uani 1 1 d .
H17A H 0.2120 -0.1988 0.7524 0.050 Uiso 1 1 calc R
H17B H 0.2820 -0.1508 0.8403 0.050 Uiso 1 1 calc R
H17C H 0.2236 -0.1084 0.7438 0.050 Uiso 1 1 calc R
C18 C -0.2256(3) -0.0757(2) 0.6060(3) 0.0120(8) Uani 1 1 d .
C19 C -0.3074(3) -0.0320(2) 0.5529(3) 0.0129(9) Uani 1 1 d .
C20 C -0.3957(3) -0.0693(2) 0.5155(3) 0.0168(9) Uani 1 1 d .
H20A H -0.4518 -0.0405 0.4811 0.020 Uiso 1 1 calc R
C21 C -0.4040(3) -0.1465(2) 0.5271(3) 0.0189(10) Uani 1 1 d .
H21A H -0.4653 -0.1700 0.5021 0.023 Uiso 1 1 calc R
C22 C -0.3232(3) -0.1901(3) 0.5749(3) 0.0201(10) Uani 1 1 d .
H22A H -0.3290 -0.2439 0.5801 0.024 Uiso 1 1 calc R
C23 C -0.2325(3) -0.1554(2) 0.6158(3) 0.0158(9) Uani 1 1 d .
C24 C -0.3027(3) 0.0535(2) 0.5391(3) 0.0156(9) Uani 1 1 d .
H24A H -0.2349 0.0657 0.5518 0.019 Uiso 1 1 calc R
C25 C -0.3652(3) 0.0800(2) 0.4400(3) 0.0216(10) Uani 1 1 d .
H25A H -0.3493 0.0500 0.3965 0.032 Uiso 1 1 calc R
H25B H -0.3532 0.1344 0.4338 0.032 Uiso 1 1 calc R
H25C H -0.4328 0.0726 0.4265 0.032 Uiso 1 1 calc R
C26 C -0.3271(3) 0.0999(2) 0.6074(3) 0.0211(10) Uani 1 1 d .
H26A H -0.2781 0.0912 0.6702 0.032 Uiso 1 1 calc R
H26B H -0.3895 0.0837 0.6036 0.032 Uiso 1 1 calc R
H26C H -0.3292 0.1544 0.5924 0.032 Uiso 1 1 calc R
C27 C -0.1442(3) -0.2052(2) 0.6667(3) 0.0202(10) Uani 1 1 d .
H27A H -0.0907 -0.1705 0.7054 0.024 Uiso 1 1 calc R
C28 C -0.1581(3) -0.2640(3) 0.7311(3) 0.0299(12) Uani 1 1 d .
H28A H -0.1850 -0.2386 0.7695 0.045 Uiso 1 1 calc R
H28B H -0.0963 -0.2869 0.7707 0.045 Uiso 1 1 calc R
H28C H -0.2020 -0.3042 0.6942 0.045 Uiso 1 1 calc R
C29 C -0.1139(3) -0.2459(3) 0.5990(3) 0.0295(13) Uani 1 1 d .
H29A H -0.1048 -0.2081 0.5580 0.044 Uiso 1 1 calc R
H29B H -0.1635 -0.2825 0.5623 0.044 Uiso 1 1 calc R
H29C H -0.0537 -0.2732 0.6333 0.044 Uiso 1 1 calc R
C30 C -0.1042(3) 0.1912(2) 0.4701(3) 0.0215(10) Uani 1 1 d .
H30A H -0.1054 0.2187 0.4155 0.026 Uiso 1 1 calc R
H30B H -0.1648 0.1623 0.4513 0.026 Uiso 1 1 calc R
C31 C -0.0944(3) 0.2474(2) 0.5447(3) 0.0188(10) Uani 1 1 d .
C32 C -0.0324(3) 0.3090(2) 0.5635(3) 0.0246(11) Uani 1 1 d .
H32A H 0.0026 0.3166 0.5274 0.030 Uiso 1 1 calc R
C33 C -0.0206(3) 0.3598(3) 0.6346(4) 0.0301(12) Uani 1 1 d .
H33A H 0.0226 0.4016 0.6471 0.036 Uiso 1 1 calc R
C34 C -0.0711(4) 0.3496(3) 0.6866(4) 0.0335(13) Uani 1 1 d .
H34A H -0.0641 0.3847 0.7344 0.040 Uiso 1 1 calc R
C35 C -0.1320(4) 0.2885(3) 0.6691(4) 0.0316(13) Uani 1 1 d .
H35A H -0.1668 0.2811 0.7053 0.038 Uiso 1 1 calc R
C36 C -0.1430(3) 0.2379(3) 0.6000(3) 0.0226(11) Uani 1 1 d .
H36A H -0.1847 0.1954 0.5896 0.027 Uiso 1 1 calc R
C37 C 0.2317(3) 0.0886(2) 0.6278(3) 0.0150(9) Uani 1 1 d .
H37A H 0.2493 0.1062 0.5781 0.018 Uiso 1 1 calc R
H37B H 0.1933 0.1296 0.6388 0.018 Uiso 1 1 calc R
C38 C 0.3217(3) 0.0766(2) 0.7147(3) 0.0157(9) Uani 1 1 d .
C39 C 0.3187(3) 0.0617(2) 0.7997(3) 0.0186(10) Uani 1 1 d .
H39A H 0.2585 0.0560 0.8022 0.022 Uiso 1 1 calc R
C40 C 0.4011(3) 0.0551(2) 0.8792(3) 0.0208(10) Uani 1 1 d .
H40A H 0.3973 0.0452 0.9361 0.025 Uiso 1 1 calc R
C41 C 0.4889(3) 0.0628(2) 0.8775(3) 0.0190(10) Uani 1 1 d .
H41A H 0.5455 0.0594 0.9332 0.023 Uiso 1 1 calc R
C42 C 0.4948(3) 0.0756(2) 0.7943(3) 0.0200(10) Uani 1 1 d .
H42A H 0.5554 0.0787 0.7924 0.024 Uiso 1 1 calc R
C43 C 0.4115(3) 0.0837(2) 0.7139(3) 0.0172(9) Uani 1 1 d .
H43A H 0.4157 0.0943 0.6574 0.021 Uiso 1 1 calc R
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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Yb Yb -0.3850 5.5486 '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
N1 Yb1 N2 57.17(11) . .
N1 Yb1 S1 116.42(9) . .
N2 Yb1 S1 128.43(8) . .
N1 Yb1 S1 131.75(9) . 3_556
N2 Yb1 S1 111.67(9) . 3_556
S1 Yb1 S1 106.01(3) . 3_556
N1 Yb1 S2 146.75(7) . 3_556
N2 Yb1 S2 92.22(8) . 3_556
S1 Yb1 S2 70.53(3) . 3_556
S1 Yb1 S2 68.05(3) 3_556 3_556
N1 Yb1 S2 105.00(7) . .
N2 Yb1 S2 158.29(8) . .
S1 Yb1 S2 68.65(3) . .
S1 Yb1 S2 69.43(3) 3_556 .
S2 Yb1 S2 107.53(2) 3_556 .
N1 Yb1 C1 28.67(10) . .
N2 Yb1 C1 28.50(11) . .
S1 Yb1 C1 127.43(8) . .
S1 Yb1 C1 126.07(8) 3_556 .
S2 Yb1 C1 119.81(8) 3_556 .
S2 Yb1 C1 132.64(8) . .
N1 Yb1 Yb1 157.66(7) . 3_556
N2 Yb1 Yb1 145.17(8) . 3_556
S1 Yb1 Yb1 53.85(2) . 3_556
S1 Yb1 Yb1 52.16(2) 3_556 3_556
S2 Yb1 Yb1 53.990(19) 3_556 3_556
S2 Yb1 Yb1 53.54(2) . 3_556
C1 Yb1 Yb1 173.65(8) . 3_556
C30 S1 Yb1 118.11(15) . .
C30 S1 Yb1 122.47(15) . 3_556
Yb1 S1 Yb1 73.99(3) . 3_556
C37 S2 Yb1 113.69(13) . 3_556
C37 S2 Yb1 121.23(13) . .
Yb1 S2 Yb1 72.47(2) 3_556 .
C1 N1 C6 126.6(3) . .
C1 N1 Yb1 96.8(2) . .
C6 N1 Yb1 135.5(2) . .
C1 N2 C18 127.4(3) . .
C1 N2 Yb1 96.8(2) . .
C18 N2 Yb1 134.6(3) . .
N2 C1 N1 109.2(3) . .
N2 C1 C2 125.5(3) . .
N1 C1 C2 125.0(4) . .
N2 C1 Yb1 54.7(2) . .
N1 C1 Yb1 54.57(19) . .
C2 C1 Yb1 175.9(3) . .
C4 C2 C5 108.9(4) . .
C4 C2 C3 106.4(3) . .
C5 C2 C3 105.9(3) . .
C4 C2 C1 107.4(3) . .
C5 C2 C1 111.4(3) . .
C3 C2 C1 116.5(3) . .
C7 C6 C11 119.9(3) . .
C7 C6 N1 121.2(4) . .
C11 C6 N1 118.6(4) . .
C8 C7 C6 119.0(4) . .
C8 C7 C12 118.4(4) . .
C6 C7 C12 122.5(4) . .
C9 C8 C7 121.1(4) . .
C10 C9 C8 119.8(4) . .
C9 C10 C11 121.0(4) . .
C10 C11 C6 118.7(4) . .
C10 C11 C15 117.6(4) . .
C6 C11 C15 123.6(4) . .
C14 C12 C7 114.6(4) . .
C14 C12 C13 109.9(4) . .
C7 C12 C13 108.5(3) . .
C16 C15 C17 108.7(4) . .
C16 C15 C11 113.7(4) . .
C17 C15 C11 111.0(4) . .
C23 C18 C19 120.7(4) . .
C23 C18 N2 119.9(4) . .
C19 C18 N2 119.3(4) . .
C20 C19 C18 117.8(4) . .
C20 C19 C24 119.8(4) . .
C18 C19 C24 122.3(4) . .
C21 C20 C19 122.0(4) . .
C20 C21 C22 120.1(4) . .
C21 C22 C23 120.4(4) . .
C22 C23 C18 118.7(4) . .
C22 C23 C27 119.4(4) . .
C18 C23 C27 121.9(4) . .
C19 C24 C26 112.2(4) . .
C19 C24 C25 113.5(4) . .
C26 C24 C25 109.9(3) . .
C29 C27 C23 111.1(4) . .
C29 C27 C28 109.6(4) . .
C23 C27 C28 113.1(4) . .
C31 C30 S1 109.0(3) . .
C32 C31 C36 117.6(4) . .
C32 C31 C30 120.5(4) . .
C36 C31 C30 121.8(4) . .
C31 C32 C33 120.8(5) . .
C34 C33 C32 120.0(5) . .
C33 C34 C35 119.6(5) . .
C36 C35 C34 120.6(5) . .
C35 C36 C31 121.4(4) . .
C38 C37 S2 113.0(3) . .
C43 C38 C39 117.6(4) . .
C43 C38 C37 120.7(4) . .
C39 C38 C37 121.6(4) . .
C40 C39 C38 121.1(4) . .
C39 C40 C41 120.6(4) . .
C40 C41 C42 119.9(4) . .
C41 C42 C43 119.6(4) . .
C42 C43 C38 121.0(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Yb1 N1 2.291(3) .
Yb1 N2 2.294(3) .
Yb1 S1 2.6998(11) .
Yb1 S1 2.7603(10) 3_556
Yb1 S2 2.7716(9) 3_556
Yb1 S2 2.7877(9) .
Yb1 C1 2.792(4) .
Yb1 Yb1 3.2862(4) 3_556
S1 C30 1.854(4) .
S1 Yb1 2.7604(10) 3_556
S2 C37 1.848(4) .
S2 Yb1 2.7717(9) 3_556
N1 C1 1.349(4) .
N1 C6 1.431(4) .
N2 C1 1.341(5) .
N2 C18 1.434(5) .
C1 C2 1.547(5) .
C2 C4 1.533(6) .
C2 C5 1.541(6) .
C2 C3 1.542(5) .
C6 C7 1.405(5) .
C6 C11 1.414(5) .
C7 C8 1.395(6) .
C7 C12 1.542(5) .
C8 C9 1.387(5) .
C9 C10 1.379(5) .
C10 C11 1.403(6) .
C11 C15 1.531(6) .
C12 C14 1.520(5) .
C12 C13 1.543(6) .
C15 C16 1.512(6) .
C15 C17 1.527(6) .
C18 C23 1.410(5) .
C18 C19 1.411(5) .
C19 C20 1.396(5) .
C19 C24 1.514(5) .
C20 C21 1.373(6) .
C21 C22 1.383(6) .
C22 C23 1.406(6) .
C23 C27 1.528(6) .
C24 C26 1.528(5) .
C24 C25 1.538(6) .
C27 C29 1.522(6) .
C27 C28 1.532(6) .
C30 C31 1.503(6) .
C31 C32 1.385(6) .
C31 C36 1.387(6) .
C32 C33 1.392(6) .
C33 C34 1.369(6) .
C34 C35 1.370(7) .
C35 C36 1.367(6) .
C37 C38 1.507(5) .
C38 C43 1.396(5) .
C38 C39 1.402(6) .
C39 C40 1.372(6) .
C40 C41 1.371(5) .
C41 C42 1.389(6) .
C42 C43 1.389(6) .
