#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/10/4301027.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_4301027
loop_
_publ_author_name
'Parna Gupta'
'Anindya Das'
'Falguni Basuli'
'Alfonso Castineiras'
'William S. Sheldrick'
'Heike Mayer-Figge'
'Samaresh Bhattacharya'
_publ_section_title
;

Variable Coordination Mode of Chloranilic Acid. Synthesis, Structure, and

Electrochemical Properties of Some Osmium Complexes

;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2081
_journal_page_last               2088
_journal_paper_doi               10.1021/ic049149s
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C41 H30 Cl O4 Os P2'
_chemical_formula_weight         874.24
_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                99.96(2)
_cell_angle_beta                 105.47(3)
_cell_angle_gamma                104.69(4)
_cell_formula_units_Z            2
_cell_length_a                   10.302(3)
_cell_length_b                   12.262(3)
_cell_length_c                   15.481(5)
_cell_measurement_reflns_used    15
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      15
_cell_measurement_theta_min      7.5
_cell_volume                     1761.4(11)
_computing_cell_refinement       'Siemens R3m/V'
_computing_data_collection       'Siemens R3m/V'
_computing_data_reduction        XDISK
_computing_molecular_graphics    'Siemens SHELXTL-PLUS (VMS)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device       'Siemens P4 4-circle-diffractometer'
_diffrn_measurement_method       'Profile fitted'
_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  0.0312
_diffrn_reflns_av_sigmaI/netI    0.0618
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            6084
_diffrn_reflns_theta_full        23.50
_diffrn_reflns_theta_max         23.50
_diffrn_reflns_theta_min         1.96
_diffrn_standards_decay_%        20
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.829
_exptl_absorpt_correction_T_max  0.20538
_exptl_absorpt_correction_T_min  0.15134
_exptl_absorpt_correction_type   Semi-empirical
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.648
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             862
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.033
_refine_diff_density_min         -0.656
_refine_diff_density_rms         0.109
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     370
_refine_ls_number_reflns         5110
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0608
_refine_ls_R_factor_gt           0.0437
_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)+(0.0521P)²+0.5174P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0926
_refine_ls_wR_factor_ref         0.0998
_reflns_number_gt                4188
_reflns_number_total             5110
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic049149ssi20040629_025031.cif
_cod_data_source_block           bhattaos
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_cell_volume        1761.4(9)
_cod_original_formula_sum        'C41 H30 O4 P2 Cl Os'
_cod_database_code               4301027
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
Os1 Os 0.08860(4) 0.50659(3) 0.76313(2) 0.04215(13) Uani 1 1 d . . .
P1 P 0.1189(2) 0.31784(17) 0.73615(15) 0.0475(5) Uani 1 1 d . . .
P4 P 0.0787(3) 0.70120(17) 0.79227(15) 0.0517(6) Uani 1 1 d . . .
O1 O -0.0834(5) 0.4499(4) 0.8121(3) 0.0444(13) Uani 1 1 d . . .
O2 O 0.1905(6) 0.5377(4) 0.9065(3) 0.0478(13) Uani 1 1 d . . .
C3 C 0.1030(8) 0.5198(6) 0.9541(5) 0.0431(18) Uani 1 1 d . . .
C4 C -0.0471(8) 0.4729(6) 0.9021(5) 0.0408(18) Uani 1 1 d . . .
C5 C 0.1459(7) 0.5422(6) 1.0505(5) 0.0401(18) Uani 1 1 d . . .
Cl1 Cl 0.3260(2) 0.5954(2) 1.11303(15) 0.0683(6) Uani 1 1 d . . .
C1 C 0.2496(16) 0.5618(11) 0.7367(9) 0.103(4) Uani 1 1 d . . .
O11 O 0.3567(13) 0.5997(10) 0.7214(12) 0.195(6) Uani 1 1 d . . .
C2 C -0.0244(12) 0.4742(8) 0.6399(8) 0.073(3) Uani 1 1 d . . .
O21 O -0.0978(10) 0.4535(7) 0.5620(5) 0.106(3) Uani 1 1 d . . .
C111 C 0.2353(6) 0.3088(5) 0.6649(4) 0.054(2) Uani 1 1 d G . .
C112 C 0.1892(6) 0.3242(6) 0.5763(4) 0.078(3) Uani 1 1 d G . .
H112 H 0.0994 0.3312 0.5533 0.094 Uiso 1 1 calc R . .
C113 C 0.2774(9) 0.3291(6) 0.5220(3) 0.085(3) Uani 1 1 d G . .
H113 H 0.2466 0.3394 0.4626 0.102 Uiso 1 1 calc R . .
C114 C 0.4116(8) 0.3187(6) 0.5563(5) 0.084(3) Uani 1 1 d G . .
H114 H 0.4706 0.3220 0.5200 0.100 Uiso 1 1 calc R . .
C115 C 0.4576(5) 0.3033(6) 0.6450(5) 0.079(3) Uani 1 1 d G . .
H115 H 0.5474 0.2963 0.6679 0.095 Uiso 1 1 calc R . .
C116 C 0.3695(6) 0.2983(5) 0.6993(3) 0.062(2) Uani 1 1 d G . .
H116 H 0.4003 0.2880 0.7586 0.074 Uiso 1 1 calc R . .
C121 C -0.0419(5) 0.1940(4) 0.6715(4) 0.049(2) Uani 1 1 d G . .
C122 C -0.1734(6) 0.1988(4) 0.6758(4) 0.068(3) Uani 1 1 d G . .
H122 H -0.1809 0.2667 0.7087 0.082 Uiso 1 1 calc R . .
C123 C -0.2937(5) 0.1022(5) 0.6311(5) 0.077(3) Uani 1 1 d G . .
H123 H -0.3817 0.1055 0.6340 0.092 Uiso 1 1 calc R . .
C124 C -0.2825(6) 0.0008(4) 0.5819(4) 0.085(3) Uani 1 1 d G . .
H124 H -0.3630 -0.0638 0.5520 0.102 Uiso 1 1 calc R . .
C125 C -0.1510(8) -0.0041(4) 0.5775(4) 0.077(3) Uani 1 1 d G . .
H125 H -0.1435 -0.0720 0.5447 0.092 Uiso 1 1 calc R . .
C126 C -0.0307(6) 0.0925(5) 0.6223(4) 0.067(3) Uani 1 1 d G . .
H126 H 0.0573 0.0892 0.6194 0.080 Uiso 1 1 calc R . .
C131 C 0.1989(6) 0.2756(4) 0.8415(3) 0.049(2) Uani 1 1 d G . .
C132 C 0.3235(6) 0.3528(4) 0.9071(4) 0.064(2) Uani 1 1 d G . .
H132 H 0.3677 0.4227 0.8961 0.077 Uiso 1 1 calc R . .
C133 C 0.3821(6) 0.3255(5) 0.9893(4) 0.074(3) Uani 1 1 d G . .
H133 H 0.4654 0.3772 1.0332 0.089 Uiso 1 1 calc R . .
C134 C 0.3161(7) 0.2211(6) 1.0057(3) 0.078(3) Uani 1 1 d G . .
H134 H 0.3552 0.2028 1.0607 0.094 Uiso 1 1 calc R . .
C135 C 0.1914(7) 0.1438(5) 0.9401(4) 0.073(3) Uani 1 1 d G . .
H135 H 0.1473 0.0739 0.9511 0.087 Uiso 1 1 calc R . .
C136 C 0.1329(5) 0.1711(4) 0.8579(4) 0.064(2) Uani 1 1 d G . .
H136 H 0.0495 0.1194 0.8140 0.076 Uiso 1 1 calc R . .
C411 C 0.1687(7) 0.7958(4) 0.7318(4) 0.064(2) Uani 1 1 d G . .
C412 C 0.2407(8) 0.9132(5) 0.7751(4) 0.077(3) Uani 1 1 d G . .
H412 H 0.2450 0.9440 0.8355 0.092 Uiso 1 1 calc R . .
C413 C 0.3065(8) 0.9846(4) 0.7283(5) 0.090(3) Uani 1 1 d G . .
H413 H 0.3547 1.0631 0.7573 0.108 Uiso 1 1 calc R . .
C414 C 0.3001(8) 0.9386(6) 0.6381(5) 0.092(4) Uani 1 1 d G . .
H414 H 0.3441 0.9863 0.6067 0.111 Uiso 1 1 calc R . .
C415 C 0.2280(9) 0.8212(6) 0.5947(4) 0.111(5) Uani 1 1 d G . .
H415 H 0.2238 0.7904 0.5344 0.133 Uiso 1 1 calc R . .
C416 C 0.1623(8) 0.7497(4) 0.6416(4) 0.092(4) Uani 1 1 d G . .
H416 H 0.1141 0.6712 0.6126 0.110 Uiso 1 1 calc R . .
C421 C 0.1700(6) 0.7792(5) 0.9140(3) 0.057(2) Uani 1 1 d G . .
C422 C 0.0956(5) 0.8065(6) 0.9730(5) 0.079(3) Uani 1 1 d G . .
H422 H -0.0030 0.7843 0.9508 0.095 Uiso 1 1 calc R . .
C423 C 0.1685(7) 0.8669(7) 1.0653(4) 0.108(4) Uani 1 1 d G . .
H423 H 0.1187 0.8851 1.1048 0.129 Uiso 1 1 calc R . .
C424 C 0.3159(7) 0.9000(7) 1.0985(3) 0.095(4) Uani 1 1 d G . .
H424 H 0.3646 0.9404 1.1603 0.114 Uiso 1 1 calc R . .
C425 C 0.3903(5) 0.8727(6) 1.0395(4) 0.082(3) Uani 1 1 d G . .
H425 H 0.4889 0.8949 1.0618 0.098 Uiso 1 1 calc R . .
C426 C 0.3174(6) 0.8123(6) 0.9473(4) 0.072(3) Uani 1 1 d G . .
H426 H 0.3672 0.7941 0.9078 0.086 Uiso 1 1 calc R . .
C431 C -0.0963(6) 0.7215(5) 0.7642(5) 0.060(2) Uani 1 1 d G . .
C432 C -0.1077(7) 0.8329(4) 0.7698(5) 0.087(3) Uani 1 1 d G . .
H432 H -0.0264 0.8971 0.7878 0.104 Uiso 1 1 calc R . .
C433 C -0.2406(8) 0.8483(5) 0.7487(5) 0.098(4) Uani 1 1 d G . .
H433 H -0.2483 0.9228 0.7525 0.118 Uiso 1 1 calc R . .
C434 C -0.3622(6) 0.7522(7) 0.7218(5) 0.085(3) Uani 1 1 d G . .
H434 H -0.4511 0.7625 0.7077 0.102 Uiso 1 1 calc R . .
C435 C -0.3508(6) 0.6409(5) 0.7162(6) 0.103(4) Uani 1 1 d G . .
H435 H -0.4321 0.5766 0.6982 0.124 Uiso 1 1 calc R . .
C436 C -0.2178(7) 0.6255(4) 0.7373(5) 0.092(4) Uani 1 1 d G . .
H436 H -0.2102 0.5510 0.7335 0.110 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'
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Os Os -1.2165 7.6030 '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 Os1 C2 92.4(6) . . ?
C1 Os1 O2 95.3(5) . . ?
C2 Os1 O2 172.3(4) . . ?
C1 Os1 O1 172.7(5) . . ?
C2 Os1 O1 94.9(4) . . ?
O2 Os1 O1 77.5(2) . . ?
C1 Os1 P4 87.6(4) . . ?
C2 Os1 P4 91.1(3) . . ?
O2 Os1 P4 88.08(15) . . ?
O1 Os1 P4 91.21(15) . . ?
C1 Os1 P1 88.1(4) . . ?
C2 Os1 P1 90.8(3) . . ?
O2 Os1 P1 90.56(15) . . ?
O1 Os1 P1 92.86(15) . . ?
P4 Os1 P1 175.32(9) . . ?
C121 P1 C111 103.2(3) . . ?
C121 P1 C131 104.2(3) . . ?
C111 P1 C131 105.7(3) . . ?
C121 P1 Os1 116.4(2) . . ?
C111 P1 Os1 111.0(2) . . ?
C131 P1 Os1 115.10(19) . . ?
C421 P4 C431 105.5(3) . . ?
C421 P4 C411 102.8(3) . . ?
C431 P4 C411 102.3(3) . . ?
C421 P4 Os1 111.3(2) . . ?
C431 P4 Os1 118.0(2) . . ?
C411 P4 Os1 115.4(2) . . ?
C4 O1 Os1 113.6(5) . . ?
C3 O2 Os1 113.9(5) . . ?
O2 C3 C5 124.1(7) . . ?
O2 C3 C4 117.0(7) . . ?
C5 C3 C4 118.9(7) . . ?
O1 C4 C5 123.0(7) . 2_567 ?
O1 C4 C3 117.3(7) . . ?
C5 C4 C3 119.6(7) 2_567 . ?
C3 C5 C4 121.4(7) . 2_567 ?
C3 C5 Cl1 119.0(6) . . ?
C4 C5 Cl1 119.5(6) 2_567 . ?
O11 C1 Os1 178.5(15) . . ?
O21 C2 Os1 179.1(10) . . ?
C112 C111 C116 120.0 . . ?
C112 C111 P1 117.0(4) . . ?
C116 C111 P1 122.7(4) . . ?
C113 C112 C111 120.0 . . ?
C113 C112 H112 120.0 . . ?
C111 C112 H112 120.0 . . ?
C112 C113 C114 120.0 . . ?
C112 C113 H113 120.0 . . ?
C114 C113 H113 120.0 . . ?
C115 C114 C113 120.0 . . ?
C115 C114 H114 120.0 . . ?
C113 C114 H114 120.0 . . ?
C116 C115 C114 120.0 . . ?
C116 C115 H115 120.0 . . ?
C114 C115 H115 120.0 . . ?
C115 C116 C111 120.0 . . ?
C115 C116 H116 120.0 . . ?
C111 C116 H116 120.0 . . ?
C122 C121 C126 120.0 . . ?
C122 C121 P1 120.3(3) . . ?
C126 C121 P1 119.6(3) . . ?
C123 C122 C121 120.0 . . ?
C123 C122 H122 120.0 . . ?
C121 C122 H122 120.0 . . ?
C122 C123 C124 120.0 . . ?
C122 C123 H123 120.0 . . ?
C124 C123 H123 120.0 . . ?
C123 C124 C125 120.0 . . ?
C123 C124 H124 120.0 . . ?
C125 C124 H124 120.0 . . ?
C126 C125 C124 120.0 . . ?
C126 C125 H125 120.0 . . ?
C124 C125 H125 120.0 . . ?
C125 C126 C121 120.0 . . ?
C125 C126 H126 120.0 . . ?
C121 C126 H126 120.0 . . ?
C132 C131 C136 120.0 . . ?
C132 C131 P1 118.9(3) . . ?
C136 C131 P1 121.0(3) . . ?
C133 C132 C131 120.0 . . ?
C133 C132 H132 120.0 . . ?
C131 C132 H132 120.0 . . ?
C132 C133 C134 120.0 . . ?
C132 C133 H133 120.0 . . ?
C134 C133 H133 120.0 . . ?
C135 C134 C133 120.0 . . ?
C135 C134 H134 120.0 . . ?
C133 C134 H134 120.0 . . ?
C134 C135 C136 120.0 . . ?
C134 C135 H135 120.0 . . ?
C136 C135 H135 120.0 . . ?
C135 C136 C131 120.0 . . ?
C135 C136 H136 120.0 . . ?
C131 C136 H136 120.0 . . ?
C412 C411 C416 120.0 . . ?
C412 C411 P4 120.4(3) . . ?
C416 C411 P4 119.6(3) . . ?
C411 C412 C413 120.0 . . ?
C411 C412 H412 120.0 . . ?
C413 C412 H412 120.0 . . ?
C414 C413 C412 120.0 . . ?
C414 C413 H413 120.0 . . ?
C412 C413 H413 120.0 . . ?
C413 C414 C415 120.0 . . ?
C413 C414 H414 120.0 . . ?
C415 C414 H414 120.0 . . ?
C416 C415 C414 120.0 . . ?
C416 C415 H415 120.0 . . ?
C414 C415 H415 120.0 . . ?
C415 C416 C411 120.0 . . ?
C415 C416 H416 120.0 . . ?
C411 C416 H416 120.0 . . ?
C422 C421 C426 120.0 . . ?
C422 C421 P4 121.4(4) . . ?
C426 C421 P4 118.6(4) . . ?
C423 C422 C421 120.0 . . ?
C423 C422 H422 120.0 . . ?
C421 C422 H422 120.0 . . ?
C422 C423 C424 120.0 . . ?
C422 C423 H423 120.0 . . ?
C424 C423 H423 120.0 . . ?
C425 C424 C423 120.0 . . ?
C425 C424 H424 120.0 . . ?
C423 C424 H424 120.0 . . ?
C424 C425 C426 120.0 . . ?
C424 C425 H425 120.0 . . ?
C426 C425 H425 120.0 . . ?
C425 C426 C421 120.0 . . ?
C425 C426 H426 120.0 . . ?
C421 C426 H426 120.0 . . ?
C432 C431 C436 120.0 . . ?
C432 C431 P4 120.1(3) . . ?
C436 C431 P4 119.9(3) . . ?
C433 C432 C431 120.0 . . ?
C433 C432 H432 120.0 . . ?
C431 C432 H432 120.0 . . ?
C434 C433 C432 120.0 . . ?
C434 C433 H433 120.0 . . ?
C432 C433 H433 120.0 . . ?
C433 C434 C435 120.0 . . ?
C433 C434 H434 120.0 . . ?
C435 C434 H434 120.0 . . ?
C434 C435 C436 120.0 . . ?
C434 C435 H435 120.0 . . ?
C436 C435 H435 120.0 . . ?
C435 C436 C431 120.0 . . ?
C435 C436 H436 120.0 . . ?
C431 C436 H436 120.0 . . ?
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
Os1 C1 1.806(15) . ?
Os1 C2 1.863(11) . ?
Os1 O2 2.105(5) . ?
Os1 O1 2.115(5) . ?
Os1 P4 2.384(2) . ?
Os1 P1 2.394(2) . ?
P1 C121 1.835(5) . ?
P1 C111 1.844(5) . ?
P1 C131 1.844(5) . ?
P4 C421 1.824(5) . ?
P4 C431 1.830(5) . ?
P4 C411 1.837(5) . ?
O1 C4 1.302(8) . ?
O2 C3 1.310(9) . ?
C3 C5 1.394(10) . ?
C3 C4 1.447(11) . ?
C4 C5 1.399(10) 2_567 ?
C5 C4 1.399(10) 2_567 ?
C5 Cl1 1.736(7) . ?
C1 O11 1.186(15) . ?
C2 O21 1.184(11) . ?
C111 C112 1.3900 . ?
C111 C116 1.3900 . ?
C112 C113 1.3900 . ?
C112 H112 0.9300 . ?
C113 C114 1.3900 . ?
C113 H113 0.9300 . ?
C114 C115 1.3900 . ?
C114 H114 0.9300 . ?
C115 C116 1.3900 . ?
C115 H115 0.9300 . ?
C116 H116 0.9300 . ?
C121 C122 1.3900 . ?
C121 C126 1.3900 . ?
C122 C123 1.3900 . ?
C122 H122 0.9300 . ?
C123 C124 1.3900 . ?
C123 H123 0.9300 . ?
C124 C125 1.3900 . ?
C124 H124 0.9300 . ?
C125 C126 1.3900 . ?
C125 H125 0.9300 . ?
C126 H126 0.9300 . ?
C131 C132 1.3900 . ?
C131 C136 1.3900 . ?
C132 C133 1.3900 . ?
C132 H132 0.9300 . ?
C133 C134 1.3900 . ?
C133 H133 0.9300 . ?
C134 C135 1.3900 . ?
C134 H134 0.9300 . ?
C135 C136 1.3900 . ?
C135 H135 0.9300 . ?
C136 H136 0.9300 . ?
C411 C412 1.3900 . ?
C411 C416 1.3900 . ?
C412 C413 1.3900 . ?
C412 H412 0.9300 . ?
C413 C414 1.3900 . ?
C413 H413 0.9300 . ?
C414 C415 1.3900 . ?
C414 H414 0.9300 . ?
C415 C416 1.3900 . ?
C415 H415 0.9300 . ?
C416 H416 0.9300 . ?
C421 C422 1.3900 . ?
C421 C426 1.3900 . ?
C422 C423 1.3900 . ?
C422 H422 0.9300 . ?
C423 C424 1.3900 . ?
C423 H423 0.9300 . ?
C424 C425 1.3900 . ?
C424 H424 0.9300 . ?
C425 C426 1.3900 . ?
C425 H425 0.9300 . ?
C426 H426 0.9300 . ?
C431 C432 1.3900 . ?
C431 C436 1.3900 . ?
C432 C433 1.3900 . ?
C432 H432 0.9300 . ?
C433 C434 1.3900 . ?
C433 H433 0.9300 . ?
C434 C435 1.3900 . ?
C434 H434 0.9300 . ?
C435 C436 1.3900 . ?
C435 H435 0.9300 . ?
C436 H436 0.9300 . ?
