#------------------------------------------------------------------------------
#$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $
#$Revision: 211196 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/20/14/2201463.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2201463
loop_
_publ_author_name
'Xu, Hong-Wu'
'Chen, Zhong-Ning'
'Wu, Ji-Gui'
_publ_section_title
;Bis[μ-bis(diphenylphosphino)amine-κP:P']bis[acetonitrilesilver(I)]
 tris(cis-1,2-dicyanoethylene-1,2-dithiolate)molybdate(IV)
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m631
_journal_page_last               m633
_journal_paper_doi               10.1107/S1600536802018408
_journal_volume                  58
_journal_year                    2002
_chemical_formula_iupac
'[Ag2 (C24 H21 N2 P2)2 (C2 H3 N)2] [Mo (C4 N2 S2)3]'
_chemical_formula_sum            'C64 H48 Ag2 Mo N10 P4 S6'
_chemical_formula_weight         1585.1
_chemical_name_systematic
;
Bis[μ-bis(diphenylphosphino)amine-\kP:P']bis[acetonitrilesiliver(I)]
tris(cis-1,2-dicyanoethylene 1,2-dithiolate)molybdenate(IV)
;
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.181(3)
_cell_length_b                   15.313(3)
_cell_length_c                   26.386(5)
_cell_measurement_reflns_used    5955
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.07
_cell_measurement_theta_min      1.54
_cell_volume                     6942(2)
_computing_cell_refinement       'SMART and SAINT (Siemens, 1994)'
_computing_data_collection       'SMART (Siemens, 1994)'
_computing_data_reduction        'XPREP (Siemens, 1994)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Siemens, 1994)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Siemens SMART CCD'
_diffrn_measurement_method       ω
_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  0.0798
_diffrn_reflns_av_sigmaI/netI    0.0709
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            19737
_diffrn_reflns_theta_full        25.07
_diffrn_reflns_theta_max         25.07
_diffrn_reflns_theta_min         1.54
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    1.055
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  .7293
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            dark-green
_exptl_crystal_density_diffrn    1.517
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3176
_exptl_crystal_size_max          .36
_exptl_crystal_size_mid          .34
_exptl_crystal_size_min          .28
_refine_diff_density_max         0.404
_refine_diff_density_min         -0.547
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.165
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     393
_refine_ls_number_reflns         6143
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.165
_refine_ls_R_factor_all          0.1322
_refine_ls_R_factor_gt           0.0630
_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)+(0.0205P)²+30.6018P] where P = (Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1092
_refine_ls_wR_factor_ref         0.1350
_reflns_number_gt                3749
_reflns_number_total             6143
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            cv6151.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' 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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_database_code               2201463
_cod_database_fobs_code          2201463
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y+1/2, z+1/2'
'-x, y, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y-1/2, -z-1/2'
'x, -y, z-1/2'
'-x-1/2, y-1/2, z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
Mo 0.5000 0.96380(5) 0.7500 0.0401(2) Uani d S 1 . . Mo
Ag 0.49209(4) 0.58946(4) 0.52007(2) 0.0545(2) Uani d . 1 . . Ag
P1 0.48015(11) 0.52739(12) 0.60463(7) 0.0439(5) Uani d . 1 . . P
P2 0.44075(11) 0.35718(12) 0.55482(7) 0.0436(5) Uani d . 1 . . P
N 0.4472(3) 0.4243(4) 0.6054(2) 0.0460(15) Uani d . 1 . . N
H0A 0.4322 0.4038 0.6341 0.055 Uiso calc R 1 . . H
N1 0.3565(5) 0.5771(6) 0.4914(4) 0.097(3) Uani d . 1 . . N
C1 0.2946(7) 0.5602(7) 0.4839(5) 0.091(3) Uani d . 1 . . C
C2 0.2135(7) 0.5395(8) 0.4760(6) 0.159(7) Uani d . 1 . . C
H2A 0.1897 0.5256 0.5079 0.191 Uiso calc R 1 . . H
H2B 0.2094 0.4902 0.4536 0.191 Uiso calc R 1 . . H
H2C 0.1876 0.5888 0.4612 0.191 Uiso calc R 1 . . H
C11 0.4107(5) 0.5851(5) 0.6438(3) 0.052(2) Uani d . 1 . . C
C12 0.3324(6) 0.5746(7) 0.6346(4) 0.087(3) Uani d . 1 . . C
H12A 0.3161 0.5359 0.6095 0.104 Uiso calc R 1 . . H
C13 0.2771(7) 0.6212(10) 0.6623(5) 0.119(5) Uani d . 1 . . C
H13A 0.2244 0.6126 0.6562 0.143 Uiso calc R 1 . . H
C14 0.3007(10) 0.6797(9) 0.6984(6) 0.118(5) Uani d . 1 . . C
H14A 0.2642 0.7122 0.7162 0.142 Uiso calc R 1 . . H
C15 0.3764(9) 0.6897(7) 0.7078(5) 0.105(4) Uani d . 1 . . C
H15A 0.3921 0.7292 0.7326 0.126 Uiso calc R 1 . . H
C16 0.4320(6) 0.6429(6) 0.6817(4) 0.079(3) Uani d . 1 . . C
H16A 0.4843 0.6502 0.6896 0.095 Uiso calc R 1 . . H
C21 0.5683(4) 0.5276(5) 0.6421(3) 0.0471(19) Uani d . 1 . . C
C22 0.5783(6) 0.4803(7) 0.6855(4) 0.086(3) Uani d . 1 . . C
H22A 0.5382 0.4446 0.6969 0.103 Uiso calc R 1 . . H
C23 0.6468(7) 0.4846(7) 0.7125(4) 0.100(4) Uani d . 1 . . C
H23A 0.6524 0.4515 0.7418 0.120 Uiso calc R 1 . . H
C24 0.7055(6) 0.5358(7) 0.6973(4) 0.082(3) Uani d . 1 . . C
H24A 0.7513 0.5389 0.7159 0.098 Uiso calc R 1 . . H
C25 0.6969(6) 0.5828(8) 0.6544(5) 0.110(4) Uani d . 1 . . C
H25A 0.7373 0.6185 0.6435 0.132 Uiso calc R 1 . . H
C26 0.6297(5) 0.5789(7) 0.6268(4) 0.087(3) Uani d . 1 . . C
H26A 0.6254 0.6115 0.5972 0.105 Uiso calc R 1 . . H
C31 0.3376(4) 0.3330(5) 0.5479(3) 0.0465(19) Uani d . 1 . . C
C32 0.2858(5) 0.3376(7) 0.5874(4) 0.079(3) Uani d . 1 . . C
H32A 0.3034 0.3517 0.6197 0.095 Uiso calc R 1 . . H
C33 0.2063(6) 0.3209(8) 0.5792(4) 0.097(4) Uani d . 1 . . C
H33A 0.1712 0.3248 0.6059 0.117 Uiso calc R 1 . . H
C34 0.1808(6) 0.2989(7) 0.5319(4) 0.084(3) Uani d . 1 . . C
H34A 0.1282 0.2883 0.5264 0.100 Uiso calc R 1 . . H
C35 0.2317(5) 0.2924(6) 0.4930(4) 0.076(3) Uani d . 1 . . C
H35A 0.2140 0.2758 0.4611 0.091 Uiso calc R 1 . . H
C36 0.3098(5) 0.3104(5) 0.5002(3) 0.062(2) Uani d . 1 . . C
H36A 0.3440 0.3074 0.4730 0.075 Uiso calc R 1 . . H
C41 0.4824(4) 0.2560(5) 0.5783(3) 0.0473(19) Uani d . 1 . . C
C42 0.5525(5) 0.2589(6) 0.6039(4) 0.070(3) Uani d . 1 . . C
H42A 0.5766 0.3124 0.6097 0.084 Uiso calc R 1 . . H
C43 0.5873(6) 0.1828(7) 0.6210(4) 0.082(3) Uani d . 1 . . C
H43A 0.6340 0.1859 0.6388 0.099 Uiso calc R 1 . . H
C44 0.5542(7) 0.1040(7) 0.6121(4) 0.091(4) Uani d . 1 . . C
H44A 0.5778 0.0531 0.6236 0.109 Uiso calc R 1 . . H
C45 0.4866(8) 0.1004(6) 0.5865(5) 0.110(4) Uani d . 1 . . C
H45A 0.4642 0.0462 0.5799 0.132 Uiso calc R 1 . . H
C46 0.4495(6) 0.1753(6) 0.5696(4) 0.087(3) Uani d . 1 . . C
H46A 0.4024 0.1712 0.5524 0.105 Uiso calc R 1 . . H
S1 0.57730(12) 1.08156(13) 0.78096(8) 0.0533(5) Uani d . 1 . . S
N2 0.5943(4) 1.3207(5) 0.7971(3) 0.069(2) Uani d . 1 . . N
C51 0.5328(4) 1.1784(4) 0.7640(3) 0.0461(19) Uani d . 1 . . C
C52 0.5678(5) 1.2580(5) 0.7814(3) 0.0494(19) Uani d . 1 . . C
S2 0.62374(11) 0.91214(14) 0.72242(8) 0.0563(5) Uani d . 1 . . S
S3 0.45993(12) 0.89637(13) 0.67281(8) 0.0550(5) Uani d . 1 . . S
N3 0.7362(5) 0.7991(6) 0.6239(4) 0.106(3) Uani d . 1 . . N
N4 0.5176(5) 0.7643(5) 0.5621(3) 0.083(2) Uani d . 1 . . N
C53 0.6114(5) 0.8581(5) 0.6654(3) 0.056(2) Uani d . 1 . . C
C54 0.6799(5) 0.8233(6) 0.6427(3) 0.070(3) Uani d . 1 . . C
C55 0.5405(5) 0.8497(5) 0.6444(3) 0.053(2) Uani d . 1 . . C
C56 0.5279(5) 0.8024(6) 0.5980(3) 0.066(2) Uani d . 1 . . C
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'
P P 0.1023 0.0942 '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'
Mo Mo -1.6832 0.6857 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
S2 Mo S2 3_656 . 141.21(11) yes
S2 Mo S1 3_656 . 130.07(8) yes
S2 Mo S1 . . 81.88(7) yes
S2 Mo S1 3_656 3_656 81.88(7) ?
S2 Mo S1 . 3_656 130.07(8) yes
S1 Mo S1 . 3_656 81.70(10) yes
S2 Mo S3 3_656 . 81.93(8) yes
S2 Mo S3 . . 81.54(7) yes
S1 Mo S3 . . 141.35(8) yes
S1 Mo S3 3_656 . 82.77(7) yes
S2 Mo S3 3_656 3_656 81.54(7) yes
S2 Mo S3 . 3_656 81.93(8) ?
S1 Mo S3 . 3_656 82.77(7) ?
S1 Mo S3 3_656 3_656 141.35(8) ?
S3 Mo S3 . 3_656 128.69(11) yes
P2 Ag P1 5_666 . 156.48(7) yes
P2 Ag N1 5_666 . 103.0(2) yes
P1 Ag N1 . . 99.9(2) yes
P2 Ag Ag 5_666 5_666 88.65(5) yes
P1 Ag Ag . 5_666 88.52(5) yes
N1 Ag Ag . 5_666 84.5(2) yes
N P1 C21 . . 106.1(3) ?
N P1 C11 . . 103.3(3) ?
C21 P1 C11 . . 103.8(4) ?
N P1 Ag . . 114.0(2) yes
C21 P1 Ag . . 115.5(3) yes
C11 P1 Ag . . 112.9(3) yes
N P2 C41 . . 102.9(3) ?
N P2 C31 . . 105.5(3) ?
C41 P2 C31 . . 104.2(4) ?
N P2 Ag . 5_666 114.0(2) yes
C41 P2 Ag . 5_666 112.2(2) yes
C31 P2 Ag . 5_666 116.7(3) yes
P1 N P2 . . 125.9(3) yes
P1 N H0A . . 117.1 ?
P2 N H0A . . 117.1 ?
C1 N1 Ag . . 168.3(10) yes
N1 C1 C2 . . 178.0(15) ?
C1 C2 H2A . . 109.5 ?
C1 C2 H2B . . 109.5 ?
H2A C2 H2B . . 109.5 ?
C1 C2 H2C . . 109.5 ?
H2A C2 H2C . . 109.5 ?
H2B C2 H2C . . 109.5 ?
C12 C11 C16 . . 117.4(8) ?
C12 C11 P1 . . 119.1(7) ?
C16 C11 P1 . . 123.4(7) ?
C11 C12 C13 . . 120.8(11) ?
C11 C12 H12A . . 119.6 ?
C13 C12 H12A . . 119.6 ?
C14 C13 C12 . . 119.9(13) ?
C14 C13 H13A . . 120.1 ?
C12 C13 H13A . . 120.1 ?
C15 C14 C13 . . 119.7(13) ?
C15 C14 H14A . . 120.2 ?
C13 C14 H14A . . 120.2 ?
C14 C15 C16 . . 121.4(13) ?
C14 C15 H15A . . 119.3 ?
C16 C15 H15A . . 119.3 ?
C15 C16 C11 . . 120.7(11) ?
C15 C16 H16A . . 119.6 ?
C11 C16 H16A . . 119.6 ?
C22 C21 C26 . . 116.9(8) ?
C22 C21 P1 . . 124.3(7) ?
C26 C21 P1 . . 118.8(6) ?
C21 C22 C23 . . 121.1(9) ?
C21 C22 H22A . . 119.5 ?
C23 C22 H22A . . 119.5 ?
C24 C23 C22 . . 121.0(10) ?
C24 C23 H23A . . 119.5 ?
C22 C23 H23A . . 119.5 ?
C23 C24 C25 . . 118.9(10) ?
C23 C24 H24A . . 120.6 ?
C25 C24 H24A . . 120.6 ?
C24 C25 C26 . . 121.1(10) ?
C24 C25 H25A . . 119.5 ?
C26 C25 H25A . . 119.5 ?
C25 C26 C21 . . 121.1(10) ?
C25 C26 H26A . . 119.5 ?
C21 C26 H26A . . 119.5 ?
C32 C31 C36 . . 118.5(7) ?
C32 C31 P2 . . 123.0(6) ?
C36 C31 P2 . . 118.5(6) ?
C31 C32 C33 . . 120.2(9) ?
C31 C32 H32A . . 119.9 ?
C33 C32 H32A . . 119.9 ?
C34 C33 C32 . . 119.8(9) ?
C34 C33 H33A . . 120.1 ?
C32 C33 H33A . . 120.1 ?
C35 C34 C33 . . 120.3(9) ?
C35 C34 H34A . . 119.8 ?
C33 C34 H34A . . 119.8 ?
C34 C35 C36 . . 120.6(9) ?
C34 C35 H35A . . 119.7 ?
C36 C35 H35A . . 119.7 ?
C35 C36 C31 . . 120.5(8) ?
C35 C36 H36A . . 119.7 ?
C31 C36 H36A . . 119.7 ?
C46 C41 C42 . . 118.0(8) ?
C46 C41 P2 . . 123.1(7) ?
C42 C41 P2 . . 118.9(6) ?
C41 C42 C43 . . 120.5(9) ?
C41 C42 H42A . . 119.7 ?
C43 C42 H42A . . 119.7 ?
C44 C43 C42 . . 120.8(10) ?
C44 C43 H43A . . 119.6 ?
C42 C43 H43A . . 119.6 ?
C45 C44 C43 . . 119.1(10) ?
C45 C44 H44A . . 120.4 ?
C43 C44 H44A . . 120.4 ?
C44 C45 C46 . . 121.6(10) ?
C44 C45 H45A . . 119.2 ?
C46 C45 H45A . . 119.2 ?
C41 C46 C45 . . 120.0(10) ?
C41 C46 H46A . . 120.0 ?
C45 C46 H46A . . 120.0 ?
C51 S1 Mo . . 108.3(2) ?
C51 C51 C52 3_656 . 121.7(4) ?
C51 C51 S1 3_656 . 120.8(2) ?
C52 C51 S1 . . 117.5(5) ?
N2 C52 C51 . . 177.3(9) ?
C53 S2 Mo . . 108.4(3) ?
C55 S3 Mo . . 108.6(3) ?
C55 C53 C54 . . 122.6(8) ?
C55 C53 S2 . . 121.1(6) ?
C54 C53 S2 . . 116.3(7) ?
N3 C54 C53 . . 176.8(11) ?
C53 C55 C56 . . 122.5(8) ?
C53 C55 S3 . . 120.4(6) ?
C56 C55 S3 . . 117.2(6) ?
N4 C56 C55 . . 178.9(11) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Mo S2 3_656 2.382(2) ?
Mo S2 . 2.382(2) yes
Mo S1 . 2.384(2) yes
Mo S1 3_656 2.384(2) ?
Mo S3 . 2.385(2) yes
Mo S3 3_656 2.385(2) ?
Ag P2 5_666 2.430(2) ?
Ag P1 . 2.434(2) yes
Ag N1 . 2.457(9) yes
Ag Ag 5_666 2.9501(13) yes
P1 N . 1.677(6) yes
P1 C21 . 1.808(8) ?
P1 C11 . 1.809(8) ?
P2 N . 1.688(6) yes
P2 C41 . 1.816(7) ?
P2 C31 . 1.820(8) ?
P2 Ag 5_666 2.430(2) yes
N H0A . 0.8600 ?
N1 C1 . 1.111(13) yes
C1 C2 . 1.445(15) ?
C2 H2A . 0.9600 ?
C2 H2B . 0.9600 ?
C2 H2C . 0.9600 ?
C11 C12 . 1.377(12) ?
C11 C16 . 1.384(11) ?
C12 C13 . 1.394(14) ?
C12 H12A . 0.9300 ?
C13 C14 . 1.369(17) ?
C13 H13A . 0.9300 ?
C14 C15 . 1.332(17) ?
C14 H14A . 0.9300 ?
C15 C16 . 1.379(13) ?
C15 H15A . 0.9300 ?
C16 H16A . 0.9300 ?
C21 C22 . 1.365(11) ?
C21 C26 . 1.376(11) ?
C22 C23 . 1.379(13) ?
C22 H22A . 0.9300 ?
C23 C24 . 1.338(13) ?
C23 H23A . 0.9300 ?
C24 C25 . 1.348(14) ?
C24 H24A . 0.9300 ?
C25 C26 . 1.367(13) ?
C25 H25A . 0.9300 ?
C26 H26A . 0.9300 ?
C31 C32 . 1.373(10) ?
C31 C36 . 1.388(10) ?
C32 C33 . 1.406(12) ?
C32 H32A . 0.9300 ?
C33 C34 . 1.366(13) ?
C33 H33A . 0.9300 ?
C34 C35 . 1.350(12) ?
C34 H34A . 0.9300 ?
C35 C36 . 1.384(11) ?
C35 H35A . 0.9300 ?
C36 H36A . 0.9300 ?
C41 C46 . 1.378(11) ?
C41 C42 . 1.381(11) ?
C42 C43 . 1.385(12) ?
C42 H42A . 0.9300 ?
C43 C44 . 1.355(13) ?
C43 H43A . 0.9300 ?
C44 C45 . 1.346(14) ?
C44 H44A . 0.9300 ?
C45 C46 . 1.386(13) ?
C45 H45A . 0.9300 ?
C46 H46A . 0.9300 ?
S1 C51 . 1.727(7) ?
N2 C52 . 1.140(9) ?
C51 C51 3_656 1.349(14) ?
C51 C52 . 1.434(10) ?
S2 C53 . 1.730(9) ?
S3 C55 . 1.730(8) ?
N3 C54 . 1.149(10) ?
N4 C56 . 1.127(10) ?
C53 C55 . 1.345(10) ?
C53 C54 . 1.423(11) ?
C55 C56 . 1.437(11) ?
