#------------------------------------------------------------------------------
#$Date: 2021-07-13 12:53:12 +0300 (Tue, 13 Jul 2021) $
#$Revision: 267506 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/41/1564136.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_1564136
loop_
_publ_author_name
'Vijayapritha, Subbarayan'
'Murugan, Kaliyappan'
'Viswanathamurthi, Periasamy'
'Vijayan, Paranthaman'
'Kalaiarasi, Chinnasamy'
_publ_section_title
;
 Synthesis and structural characterization of facile ruthenium(II)
 hydrazone complexes: Efficient catalysts in α-alkylation of ketones with
 primary alcohols via hydrogen auto transfer
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              119887
_journal_paper_doi               10.1016/j.ica.2020.119887
_journal_volume                  512
_journal_year                    2020
_chemical_formula_moiety         'C51 H39 As2 N3 O2 Ru S'
_chemical_formula_sum            'C51 H39 As2 N3 O2 Ru S'
_chemical_formula_weight         1008.82
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_cell_angle_alpha                90
_cell_angle_beta                 108.4150(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.8308(2)
_cell_length_b                   25.8399(5)
_cell_length_c                   15.0943(3)
_cell_measurement_reflns_used    9927
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.28
_cell_measurement_theta_min      2.95
_cell_volume                     4378.14(14)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0197
_diffrn_reflns_av_unetI/netI     0.0306
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            24188
_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.290
_diffrn_reflns_theta_min         2.952
_exptl_absorpt_coefficient_mu    1.950
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.531
_exptl_crystal_description       NEEDLE
_exptl_crystal_F_000             2032
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.34
_refine_diff_density_max         0.522
_refine_diff_density_min         -0.415
_refine_diff_density_rms         0.053
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     541
_refine_ls_number_reflns         10747
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0448
_refine_ls_R_factor_gt           0.0293
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0299P)²+1.4792P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0649
_refine_ls_wR_factor_ref         0.0700
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                8458
_reflns_number_total             10747
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ICA-2020-512-119887.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1564136
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.469
_shelx_estimated_absorpt_t_max   0.595
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.60346(2) 0.37228(2) 0.70005(2) 0.03213(5) Uani 1 1 d . . . . .
As1 As 0.68611(2) 0.32404(2) 0.59389(2) 0.03678(6) Uani 1 1 d . . . . .
As2 As 0.53207(2) 0.42319(2) 0.81115(2) 0.03693(6) Uani 1 1 d . . . . .
S1 S 0.76461(7) 0.26091(3) 0.93481(5) 0.0660(2) Uani 1 1 d . . . . .
O1 O 0.61243(13) 0.43988(6) 0.62893(10) 0.0404(3) Uani 1 1 d . . . . .
N1 N 0.77532(16) 0.38269(7) 0.78644(12) 0.0391(4) Uani 1 1 d . . . . .
O2 O 0.35327(16) 0.35074(7) 0.57794(14) 0.0638(5) Uani 1 1 d . . . . .
N3 N 0.62823(17) 0.30931(7) 0.78844(13) 0.0405(4) Uani 1 1 d . . . . .
N2 N 0.82045(18) 0.34564(8) 0.85649(13) 0.0498(5) Uani 1 1 d . . . . .
C1 C 0.7027(2) 0.47192(8) 0.65117(15) 0.0401(5) Uani 1 1 d . . . . .
C15 C 0.6174(2) 0.33748(9) 0.46140(15) 0.0407(5) Uani 1 1 d . . . . .
C7 C 0.8444(2) 0.42074(9) 0.78388(16) 0.0469(6) Uani 1 1 d . . . . .
H7 H 0.921461 0.419703 0.825467 0.056 Uiso 1 1 calc R U . . .
C39 C 0.3970(2) 0.46803(9) 0.75660(16) 0.0431(5) Uani 1 1 d . . . . .
C27 C 0.6714(2) 0.24960(9) 0.60426(16) 0.0424(5) Uani 1 1 d . . . . .
C8 C 0.7376(2) 0.31112(9) 0.85200(16) 0.0463(5) Uani 1 1 d . . . . .
C51 C 0.4482(2) 0.35892(8) 0.62442(16) 0.0406(5) Uani 1 1 d . . . . .
C45 C 0.4752(2) 0.37967(9) 0.89354(16) 0.0461(5) Uani 1 1 d . . . . .
C20 C 0.5366(2) 0.37723(10) 0.43051(17) 0.0492(6) Uani 1 1 d . . . . .
H20 H 0.512804 0.396823 0.473196 0.059 Uiso 1 1 calc R U . . .
C6 C 0.8132(2) 0.46476(9) 0.72255(16) 0.0449(5) Uani 1 1 d . . . . .
C9 C 0.5634(2) 0.26649(9) 0.80133(18) 0.0476(6) Uani 1 1 d . . . . .
C33 C 0.6467(2) 0.47001(9) 0.89429(15) 0.0454(5) Uani 1 1 d . . . . .
C40 C 0.3637(2) 0.47897(10) 0.66196(18) 0.0532(6) Uani 1 1 d . . . . .
H40 H 0.406481 0.465065 0.625426 0.064 Uiso 1 1 calc R U . . .
C21 C 0.8528(2) 0.33949(9) 0.60882(16) 0.0447(5) Uani 1 1 d . . . . .
C2 C 0.6877(2) 0.51795(9) 0.59805(18) 0.0513(6) Uani 1 1 d . . . . .
H2 H 0.615756 0.523607 0.551256 0.062 Uiso 1 1 calc R U . . .
C44 C 0.3335(3) 0.48978(11) 0.8099(2) 0.0601(7) Uani 1 1 d . . . . .
H44 H 0.354835 0.482643 0.873500 0.072 Uiso 1 1 calc R U . . .
C32 C 0.7343(2) 0.22422(10) 0.68617(17) 0.0508(6) Uani 1 1 d . . . . .
H32 H 0.793333 0.241619 0.732088 0.061 Uiso 1 1 calc R U . . .
C14 C 0.6231(3) 0.23644(10) 0.8793(2) 0.0589(7) Uani 1 1 d . . . . .
C28 C 0.5846(2) 0.22278(10) 0.53702(19) 0.0570(6) Uani 1 1 d . . . . .
H28 H 0.541745 0.239227 0.481823 0.068 Uiso 1 1 calc R U . . .
C19 C 0.4907(3) 0.38795(11) 0.33571(18) 0.0603(7) Uani 1 1 d . . . . .
H19 H 0.436630 0.414889 0.315043 0.072 Uiso 1 1 calc R U . . .
C16 C 0.6526(2) 0.30903(11) 0.39730(18) 0.0589(7) Uani 1 1 d . . . . .
H16 H 0.708652 0.282768 0.417478 0.071 Uiso 1 1 calc R U . . .
C34 C 0.7549(2) 0.45166(11) 0.95292(17) 0.0561(6) Uani 1 1 d . . . . .
H34 H 0.771508 0.416407 0.955434 0.067 Uiso 1 1 calc R U . . .
C26 C 0.8754(3) 0.38408(12) 0.5678(2) 0.0630(7) Uani 1 1 d . . . . .
H26 H 0.811755 0.403671 0.531259 0.076 Uiso 1 1 calc R U . . .
C5 C 0.9015(3) 0.50333(11) 0.7355(2) 0.0602(7) Uani 1 1 d . . . . .
H5 H 0.974603 0.498550 0.781394 0.072 Uiso 1 1 calc R U . . .
C10 C 0.4518(3) 0.25167(10) 0.7449(2) 0.0630(7) Uani 1 1 d . . . . .
H10 H 0.411730 0.270693 0.691968 0.076 Uiso 1 1 calc R U . . .
C50 C 0.3601(3) 0.36283(12) 0.8638(2) 0.0728(9) Uani 1 1 d . . . . .
H50 H 0.308262 0.375332 0.807905 0.087 Uiso 1 1 calc R U . . .
C18 C 0.5248(3) 0.35904(12) 0.27268(18) 0.0629(7) Uani 1 1 d . . . . .
H18 H 0.493695 0.366187 0.209194 0.076 Uiso 1 1 calc R U . . .
C3 C 0.7758(3) 0.55451(10) 0.6133(2) 0.0659(8) Uani 1 1 d . . . . .
H3 H 0.762917 0.584209 0.576678 0.079 Uiso 1 1 calc R U . . .
C31 C 0.7090(3) 0.17315(11) 0.6994(2) 0.0635(7) Uani 1 1 d . . . . .
H31 H 0.750951 0.156388 0.754529 0.076 Uiso 1 1 calc R U . . .
C22 C 0.9477(3) 0.31118(13) 0.6617(2) 0.0754(9) Uani 1 1 d . . . . .
H22 H 0.935253 0.281022 0.690914 0.090 Uiso 1 1 calc R U . . .
C17 C 0.6046(3) 0.31963(12) 0.30317(19) 0.0681(8) Uani 1 1 d . . . . .
H17 H 0.626750 0.299715 0.260067 0.082 Uiso 1 1 calc R U . . .
C46 C 0.5506(3) 0.36012(12) 0.97534(19) 0.0678(8) Uani 1 1 d . . . . .
H46 H 0.629427 0.371163 0.997380 0.081 Uiso 1 1 calc R U . . .
C24 C 1.0828(3) 0.37262(16) 0.6316(3) 0.0833(10) Uani 1 1 d . . . . .
H24 H 1.160254 0.383826 0.640372 0.100 Uiso 1 1 calc R U . . .
C38 C 0.6251(3) 0.52277(10) 0.89120(19) 0.0596(7) Uani 1 1 d . . . . .
H38 H 0.553501 0.535652 0.851620 0.072 Uiso 1 1 calc R U . . .
C25 C 0.9906(3) 0.40055(14) 0.5797(2) 0.0754(9) Uani 1 1 d . . . . .
H25 H 1.003743 0.431004 0.551641 0.090 Uiso 1 1 calc R U . . .
C30 C 0.6231(3) 0.14711(11) 0.6323(2) 0.0745(9) Uani 1 1 d . . . . .
H30 H 0.606993 0.112711 0.641894 0.089 Uiso 1 1 calc R U . . .
C41 C 0.2672(3) 0.51052(12) 0.6222(2) 0.0707(8) Uani 1 1 d . . . . .
H41 H 0.244000 0.517385 0.558500 0.085 Uiso 1 1 calc R U . . .
C36 C 0.8147(3) 0.53787(14) 1.0045(2) 0.0821(10) Uani 1 1 d . . . . .
H36 H 0.870782 0.560558 1.041782 0.099 Uiso 1 1 calc R U . . .
C37 C 0.7087(3) 0.55642(12) 0.9463(2) 0.0796(10) Uani 1 1 d . . . . .
H37 H 0.693004 0.591755 0.943904 0.096 Uiso 1 1 calc R U . . .
C4 C 0.8833(3) 0.54767(11) 0.6825(2) 0.0710(8) Uani 1 1 d . . . . .
H4 H 0.942612 0.572686 0.693242 0.085 Uiso 1 1 calc R U . . .
C13 C 0.5701(3) 0.19308(11) 0.9028(3) 0.0773(9) Uani 1 1 d . . . . .
H13 H 0.609562 0.173658 0.955375 0.093 Uiso 1 1 calc R U . . .
C35 C 0.8380(3) 0.48582(14) 1.0075(2) 0.0704(8) Uani 1 1 d . . . . .
H35 H 0.910268 0.473373 1.046663 0.084 Uiso 1 1 calc R U . . .
C48 C 0.3943(4) 0.30792(13) 0.9955(2) 0.0839(11) Uani 1 1 d . . . . .
H48 H 0.367179 0.283810 1.029842 0.101 Uiso 1 1 calc R U . . .
C43 C 0.2384(3) 0.52207(13) 0.7690(2) 0.0780(9) Uani 1 1 d . . . . .
H43 H 0.196827 0.537253 0.805205 0.094 Uiso 1 1 calc R U . . .
C29 C 0.5609(3) 0.17124(11) 0.5514(2) 0.0729(9) Uani 1 1 d . . . . .
H29 H 0.502638 0.153289 0.505811 0.088 Uiso 1 1 calc R U . . .
C47 C 0.5084(4) 0.32347(14) 1.0255(2) 0.0826(10) Uani 1 1 d . . . . .
H47 H 0.560117 0.309686 1.080243 0.099 Uiso 1 1 calc R U . . .
C42 C 0.2053(3) 0.53173(12) 0.6755(2) 0.0775(9) Uani 1 1 d . . . . .
H42 H 0.140161 0.552938 0.647950 0.093 Uiso 1 1 calc R U . . .
C11 C 0.4006(3) 0.20762(12) 0.7690(3) 0.0837(10) Uani 1 1 d . . . . .
H11 H 0.325566 0.197059 0.731512 0.100 Uiso 1 1 calc R U . . .
C23 C 1.0631(3) 0.32761(17) 0.6717(3) 0.0983(12) Uani 1 1 d . . . . .
H23 H 1.127476 0.307689 0.706057 0.118 Uiso 1 1 calc R U . . .
C49 C 0.3190(4) 0.32730(14) 0.9156(3) 0.0916(12) Uani 1 1 d . . . . .
H49 H 0.239685 0.316885 0.895177 0.110 Uiso 1 1 calc R U . . .
C12 C 0.4588(4) 0.17940(12) 0.8474(3) 0.0882(11) Uani 1 1 d . . . . .
H12 H 0.421864 0.150574 0.862805 0.106 Uiso 1 1 calc R U . . .
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'
As As 0.0499 2.0058 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 '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'
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
C51 Ru1 N1 176.66(8) . .
C51 Ru1 N3 99.27(9) . .
N1 Ru1 N3 77.49(7) . .
C51 Ru1 O1 92.34(8) . .
N1 Ru1 O1 90.92(7) . .
N3 Ru1 O1 168.36(7) . .
C51 Ru1 As1 91.41(7) . .
N1 Ru1 As1 87.85(5) . .
N3 Ru1 As1 90.98(5) . .
O1 Ru1 As1 89.64(4) . .
C51 Ru1 As2 91.85(7) . .
N1 Ru1 As2 88.94(5) . .
N3 Ru1 As2 89.44(5) . .
O1 Ru1 As2 89.27(4) . .
As1 Ru1 As2 176.597(11) . .
C15 As1 C27 103.98(10) . .
C15 As1 C21 99.29(10) . .
C27 As1 C21 107.81(10) . .
C15 As1 Ru1 117.23(7) . .
C27 As1 Ru1 112.62(7) . .
C21 As1 Ru1 114.53(7) . .
C39 As2 C45 102.23(10) . .
C39 As2 C33 102.43(10) . .
C45 As2 C33 104.92(10) . .
C39 As2 Ru1 116.22(7) . .
C45 As2 Ru1 112.69(7) . .
C33 As2 Ru1 116.63(7) . .
C14 S1 C8 89.67(12) . .
C1 O1 Ru1 124.89(14) . .
C7 N1 N2 116.78(19) . .
C7 N1 Ru1 126.21(15) . .
N2 N1 Ru1 116.99(14) . .
C8 N3 C9 112.06(19) . .
C8 N3 Ru1 109.95(14) . .
C9 N3 Ru1 137.98(16) . .
C8 N2 N1 108.98(18) . .
O1 C1 C2 116.1(2) . .
O1 C1 C6 126.4(2) . .
C2 C1 C6 117.4(2) . .
C20 C15 C16 119.3(2) . .
C20 C15 As1 120.13(17) . .
C16 C15 As1 120.46(18) . .
N1 C7 C6 126.0(2) . .
C44 C39 C40 119.2(2) . .
C44 C39 As2 121.56(19) . .
C40 C39 As2 119.22(17) . .
C28 C27 C32 118.8(2) . .
C28 C27 As1 120.18(18) . .
C32 C27 As1 120.18(18) . .
N2 C8 N3 126.5(2) . .
N2 C8 S1 119.98(18) . .
N3 C8 S1 113.50(18) . .
O2 C51 Ru1 179.8(3) . .
C50 C45 C46 118.5(3) . .
C50 C45 As2 119.0(2) . .
C46 C45 As2 122.0(2) . .
C15 C20 C19 120.0(2) . .
C5 C6 C1 118.5(2) . .
C5 C6 C7 116.2(2) . .
C1 C6 C7 125.3(2) . .
C10 C9 N3 126.5(2) . .
C10 C9 C14 119.7(2) . .
N3 C9 C14 113.8(2) . .
C38 C33 C34 118.7(2) . .
C38 C33 As2 120.4(2) . .
C34 C33 As2 120.77(19) . .
C41 C40 C39 119.7(2) . .
C22 C21 C26 118.1(3) . .
C22 C21 As1 124.9(2) . .
C26 C21 As1 116.88(19) . .
C3 C2 C1 122.1(3) . .
C43 C44 C39 120.1(3) . .
C31 C32 C27 120.0(3) . .
C13 C14 C9 121.0(3) . .
C13 C14 S1 128.0(3) . .
C9 C14 S1 110.94(19) . .
C27 C28 C29 120.3(3) . .
C18 C19 C20 120.2(2) . .
C17 C16 C15 119.9(2) . .
C35 C34 C33 120.0(3) . .
C21 C26 C25 121.5(3) . .
C4 C5 C6 122.3(3) . .
C9 C10 C11 118.4(3) . .
C45 C50 C49 121.1(3) . .
C17 C18 C19 119.8(2) . .
C2 C3 C4 120.6(3) . .
C30 C31 C32 120.5(3) . .
C21 C22 C23 119.8(3) . .
C18 C17 C16 120.7(3) . .
C45 C46 C47 119.6(3) . .
C25 C24 C23 119.9(3) . .
C37 C38 C33 120.7(3) . .
C24 C25 C26 119.9(3) . .
C31 C30 C29 120.3(3) . .
C42 C41 C40 120.5(3) . .
C37 C36 C35 119.9(3) . .
C36 C37 C38 120.1(3) . .
C5 C4 C3 119.0(3) . .
C12 C13 C14 118.6(3) . .
C36 C35 C34 120.6(3) . .
C47 C48 C49 120.0(3) . .
C42 C43 C44 120.1(3) . .
C30 C29 C28 120.0(3) . .
C48 C47 C46 120.9(3) . .
C43 C42 C41 120.4(3) . .
C12 C11 C10 121.2(3) . .
C24 C23 C22 120.7(3) . .
C48 C49 C50 119.9(3) . .
C13 C12 C11 121.0(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 C51 1.863(2) .
Ru1 N1 2.0571(18) .
Ru1 N3 2.0656(17) .
Ru1 O1 2.0705(14) .
Ru1 As1 2.4633(3) .
Ru1 As2 2.4800(3) .
As1 C15 1.937(2) .
As1 C27 1.942(2) .
As1 C21 1.954(2) .
As2 C39 1.935(2) .
As2 C45 1.948(2) .
As2 C33 1.950(2) .
S1 C14 1.738(3) .
S1 C8 1.759(2) .
O1 C1 1.309(3) .
N1 C7 1.287(3) .
N1 N2 1.401(2) .
O2 C51 1.141(3) .
N3 C8 1.346(3) .
N3 C9 1.395(3) .
N2 C8 1.311(3) .
C1 C2 1.414(3) .
C1 C6 1.419(3) .
C15 C20 1.380(3) .
C15 C16 1.380(3) .
C7 C6 1.439(3) .
C39 C44 1.382(3) .
C39 C40 1.386(3) .
C27 C28 1.381(3) .
C27 C32 1.390(3) .
C45 C50 1.363(4) .
C45 C46 1.371(4) .
C20 C19 1.389(3) .
C6 C5 1.412(3) .
C9 C10 1.380(4) .
C9 C14 1.400(3) .
C33 C38 1.385(4) .
C33 C34 1.390(3) .
C40 C41 1.377(4) .
C21 C22 1.366(4) .
C21 C26 1.373(4) .
C2 C3 1.371(4) .
C44 C43 1.380(4) .
C32 C31 1.381(4) .
C14 C13 1.384(4) .
C28 C29 1.392(4) .
C19 C18 1.367(4) .
C16 C17 1.381(4) .
C34 C35 1.383(4) .
C26 C25 1.385(4) .
C5 C4 1.374(4) .
C10 C11 1.391(4) .
C50 C49 1.390(4) .
C18 C17 1.366(4) .
C3 C4 1.378(4) .
C31 C30 1.364(4) .
C22 C23 1.391(4) .
C46 C47 1.399(4) .
C24 C25 1.336(5) .
C24 C23 1.365(5) .
C38 C37 1.381(4) .
C30 C29 1.361(4) .
C41 C42 1.362(4) .
C36 C37 1.371(5) .
C36 C35 1.371(5) .
C13 C12 1.365(5) .
C48 C47 1.343(5) .
C48 C49 1.350(5) .
C43 C42 1.363(4) .
C11 C12 1.375(5) .
