#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:22:20 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179787 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/83/7008305.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_7008305
loop_
_publ_author_name
'Barreiro, Elena'
'Casas, José S'
'Couce, Maria D.'
'Sánchez, Agustín'
'Sordo, José'
'Varela, José M'
'Vázquez-López, Ezequiel M'
_publ_section_title
;
 New structural features in triphenylphosphinesilver(I)
 sulfanylcarboxylates.
;
_journal_issue                   9
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1707
_journal_page_last               1715
_journal_paper_doi               10.1039/b501309g
_journal_year                    2005
_chemical_formula_sum            'C48 H43 Ag2 O4 P2 S'
_chemical_formula_weight         993.56
_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                107.707(2)
_cell_angle_beta                 98.165(2)
_cell_angle_gamma                113.460(2)
_cell_formula_units_Z            2
_cell_length_a                   12.6832(13)
_cell_length_b                   13.5698(14)
_cell_length_c                   15.7147(17)
_cell_measurement_temperature    293(2)
_cell_volume                     2253.9(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.830
_diffrn_measured_fraction_theta_max 0.830
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0494
_diffrn_reflns_av_sigmaI/netI    0.1868
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            12975
_diffrn_reflns_theta_full        28.08
_diffrn_reflns_theta_max         28.08
_diffrn_reflns_theta_min         1.43
_exptl_absorpt_coefficient_mu    1.028
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.669307
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.464
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             1006
_exptl_crystal_size_max          .26
_exptl_crystal_size_mid          .24
_exptl_crystal_size_min          .22
_refine_diff_density_max         0.920
_refine_diff_density_min         -0.524
_refine_diff_density_rms         0.107
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.746
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     487
_refine_ls_number_reflns         9092
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.746
_refine_ls_R_factor_all          0.1257
_refine_ls_R_factor_gt           0.0518
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0418P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1058
_refine_ls_wR_factor_ref         0.1198
_reflns_number_gt                3775
_reflns_number_total             9092
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b501309g.txt
_cod_data_source_block           4.C3H6O
_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        2253.8(4)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7008305
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
Ag1 Ag 0.63752(5) 0.66923(4) 0.45213(4) 0.04901(18) Uani 1 1 d . . .
Ag2 Ag 0.44281(5) 0.68708(4) 0.57528(4) 0.05324(19) Uani 1 1 d . . .
S S 0.66738(15) 0.75675(13) 0.62046(12) 0.0424(4) Uani 1 1 d . . .
O1 O 0.6340(4) 0.5181(3) 0.4968(3) 0.0434(11) Uani 1 1 d . . .
O2 O 0.6101(4) 0.4403(4) 0.6004(3) 0.0534(13) Uani 1 1 d . . .
C1 C 0.6354(5) 0.5265(5) 0.5780(5) 0.0388(16) Uani 1 1 d . . .
C2 C 0.6709(5) 0.6454(5) 0.6554(5) 0.0370(16) Uani 1 1 d . . .
C3 C 0.7032(6) 0.6568(6) 0.7432(5) 0.0463(18) Uani 1 1 d . . .
H3 H 0.6993 0.5893 0.7488 0.056 Uiso 1 1 calc R . .
C4 C 0.7441(6) 0.7560(6) 0.8339(5) 0.0478(18) Uani 1 1 d . . .
C5 C 0.7975(7) 0.8735(7) 0.8476(5) 0.066(2) Uani 1 1 d . . .
H5 H 0.8042 0.8923 0.7958 0.079 Uiso 1 1 calc R . .
C6 C 0.8406(7) 0.9626(6) 0.9344(6) 0.069(2) Uani 1 1 d . . .
H6 H 0.8757 1.0401 0.9407 0.082 Uiso 1 1 calc R . .
C7 C 0.8318(7) 0.9373(7) 1.0099(6) 0.061(2) Uani 1 1 d . . .
C8 C 0.7796(7) 0.8236(8) 1.0018(6) 0.073(2) Uani 1 1 d . . .
H8 H 0.7728 0.8065 1.0544 0.088 Uiso 1 1 calc R . .
C9 C 0.7369(7) 0.7344(7) 0.9134(6) 0.065(2) Uani 1 1 d . . .
H9 H 0.7022 0.6572 0.9078 0.078 Uiso 1 1 calc R . .
O3 O 0.8710(5) 1.0170(5) 1.1014(4) 0.0811(17) Uani 1 1 d . . .
C71 C 0.9205(8) 1.1377(7) 1.1150(6) 0.101(3) Uani 1 1 d . . .
H71A H 0.9911 1.1594 1.0946 0.152 Uiso 1 1 calc R . .
H71B H 0.9417 1.1854 1.1803 0.152 Uiso 1 1 calc R . .
H71C H 0.8618 1.1493 1.0794 0.152 Uiso 1 1 calc R . .
P1 P 0.67277(16) 0.66647(15) 0.30879(13) 0.0454(5) Uani 1 1 d . . .
C111 C 0.5580(6) 0.6606(5) 0.2196(5) 0.0463(18) Uani 1 1 d . . .
C112 C 0.4629(7) 0.6747(6) 0.2422(6) 0.065(2) Uani 1 1 d . . .
H112 H 0.4592 0.6882 0.3031 0.077 Uiso 1 1 calc R . .
C113 C 0.3731(8) 0.6695(8) 0.1781(7) 0.087(3) Uani 1 1 d . . .
H113 H 0.3107 0.6814 0.1957 0.105 Uiso 1 1 calc R . .
C114 C 0.3772(8) 0.6468(7) 0.0892(6) 0.082(3) Uani 1 1 d . . .
H114 H 0.3168 0.6422 0.0445 0.098 Uiso 1 1 calc R . .
C115 C 0.4707(8) 0.6306(7) 0.0648(6) 0.075(2) Uani 1 1 d . . .
H115 H 0.4732 0.6160 0.0035 0.090 Uiso 1 1 calc R . .
C116 C 0.5607(7) 0.6352(6) 0.1285(5) 0.062(2) Uani 1 1 d . . .
H116 H 0.6220 0.6215 0.1105 0.074 Uiso 1 1 calc R . .
C121 C 0.8127(6) 0.7909(6) 0.3236(5) 0.0472(18) Uani 1 1 d . . .
C122 C 0.8238(7) 0.8656(6) 0.2793(5) 0.065(2) Uani 1 1 d . . .
H122 H 0.7565 0.8531 0.2363 0.078 Uiso 1 1 calc R . .
C123 C 0.9338(9) 0.9588(7) 0.2979(7) 0.081(3) Uani 1 1 d . . .
H123 H 0.9399 1.0087 0.2672 0.097 Uiso 1 1 calc R . .
C124 C 1.0237(8) 0.9070(9) 0.4051(7) 0.110(4) Uani 1 1 d . . .
H124 H 1.0918 0.9205 0.4479 0.132 Uiso 1 1 calc R . .
C125 C 1.0335(9) 0.9794(8) 0.3600(7) 0.089(3) Uani 1 1 d . . .
H125 H 1.1077 1.0423 0.3715 0.107 Uiso 1 1 calc R . .
C126 C 0.9127(7) 0.8125(7) 0.3881(6) 0.081(3) Uani 1 1 d . . .
H126 H 0.9065 0.7643 0.4204 0.097 Uiso 1 1 calc R . .
C131 C 0.6872(6) 0.5361(6) 0.2457(5) 0.0469(18) Uani 1 1 d . . .
C132 C 0.7833(7) 0.5417(7) 0.2137(5) 0.068(2) Uani 1 1 d . . .
H132 H 0.8454 0.6144 0.2241 0.081 Uiso 1 1 calc R . .
C133 C 0.7900(10) 0.4415(10) 0.1660(7) 0.096(3) Uani 1 1 d . . .
H133 H 0.8549 0.4461 0.1433 0.115 Uiso 1 1 calc R . .
C134 C 0.7019(11) 0.3381(10) 0.1533(7) 0.098(4) Uani 1 1 d . . .
H134 H 0.7078 0.2708 0.1232 0.118 Uiso 1 1 calc R . .
C135 C 0.6007(10) 0.3272(7) 0.1836(6) 0.093(3) Uani 1 1 d . . .
H135 H 0.5381 0.2539 0.1710 0.112 Uiso 1 1 calc R . .
C136 C 0.5962(7) 0.4302(7) 0.2337(6) 0.071(2) Uani 1 1 d . . .
H136 H 0.5327 0.4266 0.2581 0.085 Uiso 1 1 calc R . .
P2 P 0.33108(15) 0.78998(15) 0.61603(13) 0.0448(5) Uani 1 1 d . . .
C211 C 0.4028(6) 0.9034(5) 0.7339(5) 0.0450(18) Uani 1 1 d . . .
C212 C 0.5245(6) 0.9462(6) 0.7737(6) 0.062(2) Uani 1 1 d . . .
H212 H 0.5671 0.9166 0.7396 0.074 Uiso 1 1 calc R . .
C213 C 0.5848(8) 1.0325(8) 0.8638(7) 0.098(3) Uani 1 1 d . . .
H213 H 0.6674 1.0622 0.8890 0.118 Uiso 1 1 calc R . .
C214 C 0.3403(7) 0.9456(7) 0.7882(6) 0.079(3) Uani 1 1 d . . .
H214 H 0.2576 0.9163 0.7643 0.095 Uiso 1 1 calc R . .
C215 C 0.4015(10) 1.0310(8) 0.8776(7) 0.100(3) Uani 1 1 d . . .
H215 H 0.3601 1.0605 0.9133 0.120 Uiso 1 1 calc R . .
C216 C 0.5223(10) 1.0725(7) 0.9140(7) 0.098(3) Uani 1 1 d . . .
H216 H 0.5622 1.1295 0.9746 0.118 Uiso 1 1 calc R . .
C221 C 0.1762(6) 0.7110(6) 0.6113(5) 0.0451(18) Uani 1 1 d . . .
C222 C 0.0908(7) 0.7477(6) 0.5956(5) 0.062(2) Uani 1 1 d . . .
H222 H 0.1118 0.8153 0.5842 0.074 Uiso 1 1 calc R . .
C223 C -0.0280(7) 0.6838(8) 0.5966(6) 0.073(2) Uani 1 1 d . . .
H223 H -0.0844 0.7099 0.5869 0.087 Uiso 1 1 calc R . .
C224 C -0.0593(7) 0.5832(8) 0.6119(6) 0.080(3) Uani 1 1 d . . .
H224 H -0.1369 0.5408 0.6135 0.096 Uiso 1 1 calc R . .
C225 C 0.0241(7) 0.5458(7) 0.6247(6) 0.074(3) Uani 1 1 d . . .
H225 H 0.0022 0.4770 0.6345 0.089 Uiso 1 1 calc R . .
C226 C 0.1404(6) 0.6067(6) 0.6237(5) 0.059(2) Uani 1 1 d . . .
H226 H 0.1949 0.5779 0.6313 0.070 Uiso 1 1 calc R . .
C231 C 0.3278(6) 0.8690(6) 0.5412(5) 0.0467(18) Uani 1 1 d . . .
C232 C 0.3035(8) 0.8097(7) 0.4463(6) 0.085(3) Uani 1 1 d . . .
H232 H 0.2861 0.7314 0.4230 0.102 Uiso 1 1 calc R . .
C233 C 0.3046(9) 0.8649(10) 0.3858(7) 0.111(4) Uani 1 1 d . . .
H233 H 0.2883 0.8241 0.3220 0.133 Uiso 1 1 calc R . .
C234 C 0.3296(8) 0.9796(9) 0.4194(8) 0.085(3) Uani 1 1 d . . .
H234 H 0.3295 1.0167 0.3785 0.102 Uiso 1 1 calc R . .
C235 C 0.3541(8) 1.0379(8) 0.5101(8) 0.089(3) Uani 1 1 d . . .
H235 H 0.3725 1.1165 0.5330 0.107 Uiso 1 1 calc R . .
C236 C 0.3523(7) 0.9831(7) 0.5707(6) 0.077(3) Uani 1 1 d . . .
H236 H 0.3685 1.0254 0.6341 0.093 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'
S S 0.1246 0.1234 '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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Ag1 P1 118.29(11) . . ?
O1 Ag1 S 78.88(11) . . ?
P1 Ag1 S 155.62(6) . . ?
O1 Ag1 O2 88.86(13) . 2_666 ?
P1 Ag1 O2 101.16(11) . 2_666 ?
S Ag1 O2 96.08(11) . 2_666 ?
O1 Ag1 Ag2 87.31(10) . . ?
P1 Ag1 Ag2 142.12(5) . . ?
S Ag1 Ag2 48.12(4) . . ?
O2 Ag1 Ag2 48.62(10) 2_666 . ?
O1 Ag1 Ag2 21.34(10) . 2_666 ?
P1 Ag1 Ag2 101.60(5) . 2_666 ?
S Ag1 Ag2 98.58(4) . 2_666 ?
O2 Ag1 Ag2 78.66(9) 2_666 2_666 ?
Ag2 Ag1 Ag2 94.392(16) . 2_666 ?
O1 Ag2 P2 126.91(11) 2_666 . ?
O1 Ag2 S 101.61(11) 2_666 . ?
P2 Ag2 S 130.63(6) . . ?
O1 Ag2 O2 52.19(14) 2_666 2_666 ?
P2 Ag2 O2 117.23(11) . 2_666 ?
S Ag2 O2 98.26(10) . 2_666 ?
O1 Ag2 Ag1 79.11(10) 2_666 . ?
P2 Ag2 Ag1 141.88(5) . . ?
S Ag2 Ag1 46.19(4) . . ?
O2 Ag2 Ag1 52.76(9) 2_666 . ?
C2 S Ag1 101.3(2) . . ?
C2 S Ag2 99.3(2) . . ?
Ag1 S Ag2 85.69(6) . . ?
C1 O1 Ag1 119.9(4) . . ?
C1 O1 Ag2 98.1(4) . 2_666 ?
Ag1 O1 Ag2 137.49(19) . 2_666 ?
C1 O2 Ag2 87.2(4) . 2_666 ?
O1 C1 O2 122.2(6) . . ?
O1 C1 C2 120.2(6) . . ?
O2 C1 C2 117.6(6) . . ?
C3 C2 C1 117.2(6) . . ?
C3 C2 S 125.2(5) . . ?
C1 C2 S 117.6(5) . . ?
C2 C3 C4 132.5(6) . . ?
C9 C4 C5 115.6(7) . . ?
C9 C4 C3 119.2(7) . . ?
C5 C4 C3 125.1(7) . . ?
C6 C5 C4 122.8(7) . . ?
C7 C6 C5 119.5(7) . . ?
C6 C7 C8 121.0(8) . . ?
C6 C7 O3 126.3(7) . . ?
C8 C7 O3 112.7(8) . . ?
C7 C8 C9 118.6(8) . . ?
C4 C9 C8 122.5(7) . . ?
C7 O3 C71 116.0(7) . . ?
C121 P1 C111 105.3(3) . . ?
C121 P1 C131 105.4(3) . . ?
C111 P1 C131 102.0(3) . . ?
C121 P1 Ag1 112.6(2) . . ?
C111 P1 Ag1 118.5(2) . . ?
C131 P1 Ag1 111.7(2) . . ?
C112 C111 C116 118.9(7) . . ?
C112 C111 P1 119.5(6) . . ?
C116 C111 P1 121.5(6) . . ?
C111 C112 C113 122.3(8) . . ?
C114 C113 C112 118.7(8) . . ?
C113 C114 C115 119.8(8) . . ?
C116 C115 C114 121.8(8) . . ?
C115 C116 C111 118.4(7) . . ?
C122 C121 C126 118.8(7) . . ?
C122 C121 P1 125.5(6) . . ?
C126 C121 P1 115.7(6) . . ?
C121 C122 C123 120.4(8) . . ?
C125 C123 C122 121.2(9) . . ?
C125 C124 C126 120.7(9) . . ?
C123 C125 C124 119.0(8) . . ?
C121 C126 C124 119.8(8) . . ?
C132 C131 C136 120.6(7) . . ?
C132 C131 P1 123.2(6) . . ?
C136 C131 P1 116.2(6) . . ?
C131 C132 C133 121.2(8) . . ?
C134 C133 C132 118.9(10) . . ?
C133 C134 C135 122.3(10) . . ?
C134 C135 C136 118.2(9) . . ?
C131 C136 C135 118.7(8) . . ?
C221 P2 C211 104.4(3) . . ?
C221 P2 C231 104.9(3) . . ?
C211 P2 C231 104.3(3) . . ?
C221 P2 Ag2 119.8(2) . . ?
C211 P2 Ag2 111.9(2) . . ?
C231 P2 Ag2 110.1(2) . . ?
C212 C211 C214 118.0(7) . . ?
C212 C211 P2 118.4(5) . . ?
C214 C211 P2 123.5(6) . . ?
C211 C212 C213 121.4(7) . . ?
C216 C213 C212 119.1(9) . . ?
C215 C214 C211 119.8(8) . . ?
C216 C215 C214 120.4(9) . . ?
C213 C216 C215 121.2(9) . . ?
C222 C221 C226 118.0(6) . . ?
C222 C221 P2 124.0(6) . . ?
C226 C221 P2 118.0(5) . . ?
C221 C222 C223 120.9(7) . . ?
C224 C223 C222 119.5(7) . . ?
C225 C224 C223 119.3(8) . . ?
C224 C225 C226 122.0(8) . . ?
C225 C226 C221 120.1(7) . . ?
C236 C231 C232 116.7(7) . . ?
C236 C231 P2 125.8(6) . . ?
C232 C231 P2 117.4(6) . . ?
C233 C232 C231 120.9(8) . . ?
C234 C233 C232 119.9(9) . . ?
C235 C234 C233 120.0(9) . . ?
C234 C235 C236 120.3(9) . . ?
C231 C236 C235 122.3(9) . . ?
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
Ag1 O1 2.347(4) . ?
Ag1 P1 2.3503(19) . ?
Ag1 S 2.4489(18) . ?
Ag1 O2 2.748(4) 2_666 ?
Ag1 Ag2 3.3839(8) . ?
Ag1 Ag2 4.3918(9) 2_666 ?
Ag2 O1 2.365(4) 2_666 ?
Ag2 P2 2.3784(17) . ?
Ag2 S 2.5267(18) . ?
Ag2 O2 2.590(5) 2_666 ?
S C2 1.772(6) . ?
O1 C1 1.243(7) . ?
O1 Ag2 2.365(4) 2_666 ?
O2 C1 1.257(7) . ?
O2 Ag2 2.590(5) 2_666 ?
C1 C2 1.536(8) . ?
C2 C3 1.324(8) . ?
C3 C4 1.476(9) . ?
C4 C9 1.374(9) . ?
C4 C5 1.391(9) . ?
C5 C6 1.371(9) . ?
C6 C7 1.340(10) . ?
C7 C8 1.370(10) . ?
C7 O3 1.381(8) . ?
C8 C9 1.390(9) . ?
O3 C71 1.432(9) . ?
P1 C121 1.820(7) . ?
P1 C111 1.831(7) . ?
P1 C131 1.841(7) . ?
C111 C112 1.371(9) . ?
C111 C116 1.375(9) . ?
C112 C113 1.373(10) . ?
C113 C114 1.350(11) . ?
C114 C115 1.375(10) . ?
C115 C116 1.374(9) . ?
C121 C122 1.369(9) . ?
C121 C126 1.371(9) . ?
C122 C123 1.374(9) . ?
C123 C125 1.354(11) . ?
C124 C125 1.354(12) . ?
C124 C126 1.395(10) . ?
C131 C132 1.367(9) . ?
C131 C136 1.373(9) . ?
C132 C133 1.381(11) . ?
C133 C134 1.331(12) . ?
C134 C135 1.402(12) . ?
C135 C136 1.409(10) . ?
P2 C221 1.802(7) . ?
P2 C211 1.816(7) . ?
P2 C231 1.823(7) . ?
C211 C212 1.380(8) . ?
C211 C214 1.393(9) . ?
C212 C213 1.390(10) . ?
C213 C216 1.344(11) . ?
C214 C215 1.379(10) . ?
C215 C216 1.365(11) . ?
C221 C222 1.381(8) . ?
C221 C226 1.389(9) . ?
C222 C223 1.413(9) . ?
C223 C224 1.370(10) . ?
C224 C225 1.359(10) . ?
C225 C226 1.379(9) . ?
C231 C236 1.360(9) . ?
C231 C232 1.380(10) . ?
C232 C233 1.378(11) . ?
C233 C234 1.364(11) . ?
C234 C235 1.323(11) . ?
C235 C236 1.373(10) . ?
