#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:55:46 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179269 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/89/4318903.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_4318903
loop_
_publ_author_name
'Richard D. Adams'
'O-Sung Kwon'
'Mark D. Smith'
_publ_section_title
;
 Disulfides of Manganese Carbonyl. Synthesis of Mn2(CO)7(μ-S2) and Its
 Reactions with Tertiary Phosphines and Arsines
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6281
_journal_page_last               6290
_journal_paper_doi               10.1021/ic0203670
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C31 H22 As2 Mn4 O15 S2'
_chemical_formula_weight         1068.21
_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                 102.016(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.5812(14)
_cell_length_b                   25.939(4)
_cell_length_c                   16.459(2)
_cell_measurement_reflns_used    813
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      18.36
_cell_measurement_theta_min      2.31
_cell_volume                     4000.9(10)
_computing_cell_refinement       'SAINT+ NT V6.02a (Bruker, 1998)'
_computing_data_collection       'SMART NT V5.619 (Bruker, 2000)'
_computing_data_reduction        'SAINT+ NT V6.02a'
_computing_molecular_graphics    'SHELXTL V5.1 (Sheldrick, 1997)'
_computing_publication_material  'SHELXTL V5.1'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART APEX CCD diffractometer'
_diffrn_measurement_method       '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  0.1427
_diffrn_reflns_av_sigmaI/netI    0.1500
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            22596
_diffrn_reflns_theta_full        24.41
_diffrn_reflns_theta_max         24.41
_diffrn_reflns_theta_min         1.49
_diffrn_standards_decay_%        <1
_exptl_absorpt_coefficient_mu    3.044
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.748057
_exptl_absorpt_correction_type   SADABS
_exptl_absorpt_process_details   '(SADABS, Bruker, 1997)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.773
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2104
_exptl_crystal_size_max          0.6
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.01
_refine_diff_density_max         0.474
_refine_diff_density_min         -0.584
_refine_diff_density_rms         0.104
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     491
_refine_ls_number_reflns         6571
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.000
_refine_ls_R_factor_all          0.1522
_refine_ls_R_factor_gt           0.0610
_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
  [0.00000+1.00000exp(0.59(sinθ/λ)²)]/
    [σ²(Fo²)+0.0000+0.0000*P+(0.0280P)²+0.0000sinθ/λ]
  where P = 0.33333Fo² + 0.66667Fc²
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0956
_refine_ls_wR_factor_ref         0.1215
_reflns_number_gt                3249
_reflns_number_total             6571
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0203670_10.cif
_cod_data_source_block           Mn4(CO)15S2(AsMe2Ph)2
_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 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4318903
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Mn1 Mn 0.56545(14) 0.94115(5) 0.37159(8) 0.0419(4) Uani 1 1 d . . .
Mn2 Mn 0.53124(15) 0.88650(5) 0.23387(8) 0.0429(4) Uani 1 1 d . . .
Mn3 Mn 0.64200(14) 1.03734(5) 0.17976(8) 0.0404(4) Uani 1 1 d . . .
Mn4 Mn 0.71078(14) 0.79133(5) 0.43789(8) 0.0424(4) Uani 1 1 d . . .
S1 S 0.6749(2) 0.96016(8) 0.26145(13) 0.0384(6) Uani 1 1 d . . .
S2 S 0.7006(2) 0.86803(9) 0.35531(13) 0.0400(6) Uani 1 1 d . . .
As1 As 0.89995(10) 1.03223(4) 0.20165(6) 0.0452(3) Uani 1 1 d . . .
As2 As 0.96484(10) 0.79755(4) 0.43884(6) 0.0534(3) Uani 1 1 d . . .
C10 C 0.7089(11) 0.9699(4) 0.4439(6) 0.057(3) Uani 1 1 d . . .
C11 C 0.4880(10) 0.9160(4) 0.4543(6) 0.049(3) Uani 1 1 d . . .
C12 C 0.4613(10) 0.9981(4) 0.3636(6) 0.051(3) Uani 1 1 d . . .
C13 C 0.3810(12) 0.9118(4) 0.2971(6) 0.058(3) Uani 1 1 d . . .
C20 C 0.6456(11) 0.8632(4) 0.1664(6) 0.055(3) Uani 1 1 d . . .
C21 C 0.4436(10) 0.8253(4) 0.2315(6) 0.053(3) Uani 1 1 d . . .
C22 C 0.4085(10) 0.9108(4) 0.1454(6) 0.050(3) Uani 1 1 d . . .
C30 C 0.6338(9) 0.9949(4) 0.0897(6) 0.046(3) Uani 1 1 d . . .
C31 C 0.6316(10) 1.0947(4) 0.1186(6) 0.052(3) Uani 1 1 d . . .
C32 C 0.6695(10) 1.0748(4) 0.2752(6) 0.053(3) Uani 1 1 d . . .
C33 C 0.4490(11) 1.0362(4) 0.1701(6) 0.055(3) Uani 1 1 d . . .
C40 C 0.6897(10) 0.7537(4) 0.3419(7) 0.056(3) Uani 1 1 d . . .
C41 C 0.7349(11) 0.7342(4) 0.5002(6) 0.054(3) Uani 1 1 d . . .
C42 C 0.7446(10) 0.8331(4) 0.5296(6) 0.052(3) Uani 1 1 d . . .
C43 C 0.5178(11) 0.7927(4) 0.4307(6) 0.052(3) Uani 1 1 d . . .
C51 C 1.0012(10) 1.0345(4) 0.3157(5) 0.082(4) Uani 1 1 d . . .
H51A H 1.1019 1.0318 0.3179 0.124 Uiso 1 1 calc R . .
H51B H 0.9710 1.0063 0.3457 0.124 Uiso 1 1 calc R . .
H51C H 0.9813 1.0665 0.3403 0.124 Uiso 1 1 calc R . .
C52 C 0.9726(10) 0.9699(3) 0.1613(6) 0.073(3) Uani 1 1 d . . .
H52A H 0.9363 0.9670 0.1025 0.109 Uiso 1 1 calc R . .
H52B H 0.9426 0.9407 0.1890 0.109 Uiso 1 1 calc R . .
H52C H 1.0749 0.9712 0.1722 0.109 Uiso 1 1 calc R . .
C53 C 0.9882(9) 1.0853(4) 0.1489(6) 0.045(2) Uani 1 1 d . . .
C54 C 0.9865(11) 1.0826(4) 0.0656(7) 0.074(3) Uani 1 1 d . . .
H54 H 0.9408 1.0550 0.0353 0.089 Uiso 1 1 calc R . .
C55 C 1.0500(14) 1.1193(5) 0.0253(8) 0.091(4) Uani 1 1 d . . .
H55 H 1.0497 1.1161 -0.0310 0.109 Uiso 1 1 calc R . .
C56 C 1.1119(14) 1.1595(5) 0.0684(10) 0.090(5) Uani 1 1 d . . .
H56 H 1.1547 1.1845 0.0413 0.108 Uiso 1 1 calc R . .
C57 C 1.1146(13) 1.1651(5) 0.1495(10) 0.100(5) Uani 1 1 d . . .
H57 H 1.1555 1.1943 0.1778 0.120 Uiso 1 1 calc R . .
C58 C 1.0550(12) 1.1265(4) 0.1912(7) 0.076(3) Uani 1 1 d . . .
H58 H 1.0611 1.1291 0.2482 0.091 Uiso 1 1 calc R . .
C61 C 1.0545(11) 0.8638(4) 0.4624(7) 0.092(4) Uani 1 1 d . . .
H61A H 1.1462 0.8634 0.4474 0.138 Uiso 1 1 calc R . .
H61B H 1.0664 0.8712 0.5206 0.138 Uiso 1 1 calc R . .
H61C H 0.9958 0.8899 0.4308 0.138 Uiso 1 1 calc R . .
C62 C 1.0866(11) 0.7544(5) 0.5175(6) 0.101(4) Uani 1 1 d . . .
H62A H 1.0526 0.7195 0.5112 0.152 Uiso 1 1 calc R . .
H62B H 1.0862 0.7661 0.5728 0.152 Uiso 1 1 calc R . .
H62C H 1.1820 0.7559 0.5080 0.152 Uiso 1 1 calc R . .
C63 C 1.0102(10) 0.7780(4) 0.3346(6) 0.055(3) Uani 1 1 d . . .
C64 C 1.0131(12) 0.8126(5) 0.2749(7) 0.090(4) Uani 1 1 d . . .
H64 H 1.0030 0.8474 0.2858 0.107 Uiso 1 1 calc R . .
C65 C 1.0309(15) 0.7975(7) 0.1974(10) 0.123(6) Uani 1 1 d . . .
H65 H 1.0354 0.8220 0.1567 0.148 Uiso 1 1 calc R . .
C66 C 1.0418(16) 0.7465(9) 0.1812(10) 0.125(7) Uani 1 1 d . . .
H66 H 1.0519 0.7365 0.1285 0.150 Uiso 1 1 calc R . .
C67 C 1.0387(15) 0.7107(6) 0.2376(12) 0.126(7) Uani 1 1 d . . .
H67 H 1.0447 0.6759 0.2251 0.151 Uiso 1 1 calc R . .
C68 C 1.0258(12) 0.7269(5) 0.3174(9) 0.094(4) Uani 1 1 d . . .
H68 H 1.0279 0.7025 0.3591 0.113 Uiso 1 1 calc R . .
O10 O 0.8011(9) 0.9895(3) 0.4897(5) 0.085(2) Uani 1 1 d . . .
O11 O 0.4353(8) 0.8999(3) 0.5047(4) 0.078(2) Uani 1 1 d . . .
O12 O 0.3908(8) 1.0351(3) 0.3575(4) 0.075(2) Uani 1 1 d . . .
O13 O 0.2595(8) 0.9102(3) 0.2942(4) 0.078(2) Uani 1 1 d . . .
O20 O 0.7175(8) 0.8508(3) 0.1226(5) 0.090(3) Uani 1 1 d . . .
O21 O 0.3883(8) 0.7856(3) 0.2282(4) 0.080(2) Uani 1 1 d . . .
O22 O 0.3277(8) 0.9264(3) 0.0885(4) 0.077(2) Uani 1 1 d . . .
O30 O 0.6346(7) 0.9666(3) 0.0361(4) 0.066(2) Uani 1 1 d . . .
O31 O 0.6195(9) 1.1312(3) 0.0772(5) 0.088(3) Uani 1 1 d . . .
O32 O 0.6877(8) 1.0981(3) 0.3360(5) 0.089(3) Uani 1 1 d . . .
O33 O 0.3291(8) 1.0349(3) 0.1637(5) 0.091(3) Uani 1 1 d . . .
O40 O 0.6752(8) 0.7298(3) 0.2816(5) 0.084(3) Uani 1 1 d . . .
O41 O 0.7519(9) 0.6976(3) 0.5419(4) 0.084(3) Uani 1 1 d . . .
O42 O 0.7689(8) 0.8589(3) 0.5873(4) 0.085(3) Uani 1 1 d . . .
O43 O 0.3996(8) 0.7931(3) 0.4282(5) 0.078(2) Uani 1 1 d . . .
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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mn Mn 0.3368 0.7283 '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'
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
C12 Mn1 C10 92.6(5) . . ?
C12 Mn1 C11 92.5(4) . . ?
C10 Mn1 C11 91.7(4) . . ?
C12 Mn1 C13 82.2(4) . . ?
C10 Mn1 C13 172.4(4) . . ?
C11 Mn1 C13 83.1(4) . . ?
C12 Mn1 S1 95.9(3) . . ?
C10 Mn1 S1 91.2(3) . . ?
C11 Mn1 S1 170.9(3) . . ?
C13 Mn1 S1 94.8(3) . . ?
C12 Mn1 S2 169.2(3) . . ?
C10 Mn1 S2 92.7(4) . . ?
C11 Mn1 S2 96.8(3) . . ?
C13 Mn1 S2 93.4(3) . . ?
S1 Mn1 S2 74.53(8) . . ?
C12 Mn1 Mn2 114.6(3) . . ?
C10 Mn1 Mn2 137.7(3) . . ?
C11 Mn1 Mn2 117.2(3) . . ?
C13 Mn1 Mn2 49.9(3) . . ?
S1 Mn1 Mn2 55.93(7) . . ?
S2 Mn1 Mn2 55.87(7) . . ?
C22 Mn2 C21 94.0(4) . . ?
C22 Mn2 C20 89.9(4) . . ?
C21 Mn2 C20 91.8(4) . . ?
C22 Mn2 C13 83.6(4) . . ?
C21 Mn2 C13 85.4(4) . . ?
C20 Mn2 C13 172.7(4) . . ?
C22 Mn2 S1 97.5(3) . . ?
C21 Mn2 S1 168.5(3) . . ?
C20 Mn2 S1 89.2(3) . . ?
C13 Mn2 S1 95.0(3) . . ?
C22 Mn2 S2 171.1(3) . . ?
C21 Mn2 S2 94.3(3) . . ?
C20 Mn2 S2 93.1(3) . . ?
C13 Mn2 S2 93.8(3) . . ?
S1 Mn2 S2 74.18(8) . . ?
C22 Mn2 Mn1 117.0(3) . . ?
C21 Mn2 Mn1 118.0(3) . . ?
C20 Mn2 Mn1 136.2(3) . . ?
C13 Mn2 Mn1 50.7(3) . . ?
S1 Mn2 Mn1 55.39(6) . . ?
S2 Mn2 Mn1 55.75(7) . . ?
C31 Mn3 C32 91.3(4) . . ?
C31 Mn3 C33 91.6(4) . . ?
C32 Mn3 C33 92.6(4) . . ?
C31 Mn3 C30 93.2(4) . . ?
C32 Mn3 C30 172.9(4) . . ?
C33 Mn3 C30 92.7(4) . . ?
C31 Mn3 S1 175.6(3) . . ?
C32 Mn3 S1 89.0(3) . . ?
C33 Mn3 S1 92.7(3) . . ?
C30 Mn3 S1 86.0(3) . . ?
C31 Mn3 As1 93.7(3) . . ?
C32 Mn3 As1 86.6(3) . . ?
C33 Mn3 As1 174.6(3) . . ?
C30 Mn3 As1 87.6(3) . . ?
S1 Mn3 As1 81.96(7) . . ?
C41 Mn4 C43 93.5(4) . . ?
C41 Mn4 C40 91.8(4) . . ?
C43 Mn4 C40 91.5(4) . . ?
C41 Mn4 C42 92.2(4) . . ?
C43 Mn4 C42 92.6(4) . . ?
C40 Mn4 C42 174.1(4) . . ?
C41 Mn4 S2 175.0(3) . . ?
C43 Mn4 S2 91.5(3) . . ?
C40 Mn4 S2 88.2(3) . . ?
C42 Mn4 S2 87.4(3) . . ?
C41 Mn4 As2 92.4(3) . . ?
C43 Mn4 As2 174.1(3) . . ?
C40 Mn4 As2 88.4(3) . . ?
C42 Mn4 As2 87.2(3) . . ?
S2 Mn4 As2 82.62(7) . . ?
Mn1 S1 Mn2 68.69(7) . . ?
Mn1 S1 Mn3 125.87(10) . . ?
Mn2 S1 Mn3 124.71(10) . . ?
Mn1 S2 Mn2 68.38(8) . . ?
Mn1 S2 Mn4 124.37(10) . . ?
Mn2 S2 Mn4 126.23(11) . . ?
C53 As1 C51 103.9(4) . . ?
C53 As1 C52 102.7(4) . . ?
C51 As1 C52 102.5(5) . . ?
C53 As1 Mn3 115.2(3) . . ?
C51 As1 Mn3 115.7(3) . . ?
C52 As1 Mn3 115.1(3) . . ?
C62 As2 C61 101.7(5) . . ?
C62 As2 C63 103.3(5) . . ?
C61 As2 C63 103.9(5) . . ?
C62 As2 Mn4 115.7(3) . . ?
C61 As2 Mn4 117.7(3) . . ?
C63 As2 Mn4 112.8(3) . . ?
O10 C10 Mn1 178.6(10) . . ?
O11 C11 Mn1 177.9(9) . . ?
O12 C12 Mn1 178.8(10) . . ?
O13 C13 Mn2 140.7(8) . . ?
O13 C13 Mn1 139.9(8) . . ?
Mn2 C13 Mn1 79.4(4) . . ?
O20 C20 Mn2 176.9(9) . . ?
O21 C21 Mn2 178.3(9) . . ?
O22 C22 Mn2 179.3(10) . . ?
O30 C30 Mn3 176.0(8) . . ?
O31 C31 Mn3 177.2(10) . . ?
O32 C32 Mn3 179.3(10) . . ?
O33 C33 Mn3 179.2(11) . . ?
O40 C40 Mn4 179.3(9) . . ?
O41 C41 Mn4 178.8(10) . . ?
O42 C42 Mn4 178.4(9) . . ?
O43 C43 Mn4 178.4(10) . . ?
C58 C53 C54 117.3(9) . . ?
C58 C53 As1 122.5(8) . . ?
C54 C53 As1 120.2(8) . . ?
C53 C54 C55 122.3(11) . . ?
C56 C55 C54 118.6(12) . . ?
C55 C56 C57 122.2(12) . . ?
C56 C57 C58 119.0(11) . . ?
C53 C58 C57 120.5(11) . . ?
C64 C63 C68 118.7(11) . . ?
C64 C63 As2 121.4(9) . . ?
C68 C63 As2 119.6(9) . . ?
C63 C64 C65 121.0(13) . . ?
C66 C65 C64 119.2(15) . . ?
C67 C66 C65 122.4(17) . . ?
C66 C67 C68 117.7(16) . . ?
C63 C68 C67 121.0(13) . . ?
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
Mn1 C12 1.772(11) . ?
Mn1 C10 1.784(11) . ?
Mn1 C11 1.803(9) . ?
Mn1 C13 2.074(11) . ?
Mn1 S1 2.328(2) . ?
Mn1 S2 2.343(3) . ?
Mn1 Mn2 2.6354(18) . ?
Mn2 C22 1.785(10) . ?
Mn2 C21 1.792(10) . ?
Mn2 C20 1.818(11) . ?
Mn2 C13 2.052(10) . ?
Mn2 S1 2.343(3) . ?
Mn2 S2 2.347(3) . ?
Mn3 C31 1.788(10) . ?
Mn3 C32 1.820(11) . ?
Mn3 C33 1.823(10) . ?
Mn3 C30 1.834(10) . ?
Mn3 S1 2.396(2) . ?
Mn3 As1 2.4259(17) . ?
Mn4 C41 1.790(10) . ?
Mn4 C43 1.829(11) . ?
Mn4 C40 1.832(11) . ?
Mn4 C42 1.832(10) . ?
Mn4 S2 2.400(3) . ?
Mn4 As2 2.4364(17) . ?
As1 C53 1.915(9) . ?
As1 C51 1.926(8) . ?
As1 C52 1.931(9) . ?
As2 C62 1.914(10) . ?
As2 C61 1.924(10) . ?
As2 C63 1.924(9) . ?
C10 O10 1.152(10) . ?
C11 O11 1.136(9) . ?
C12 O12 1.166(10) . ?
C13 O13 1.156(10) . ?
C20 O20 1.142(10) . ?
C21 O21 1.154(10) . ?
C22 O22 1.156(9) . ?
C30 O30 1.149(9) . ?
C31 O31 1.158(10) . ?
C32 O32 1.149(10) . ?
C33 O33 1.132(10) . ?
C40 O40 1.154(10) . ?
C41 O41 1.163(10) . ?
C42 O42 1.145(10) . ?
C43 O43 1.124(10) . ?
C53 C58 1.362(12) . ?
C53 C54 1.370(12) . ?
C54 C55 1.372(13) . ?
C55 C56 1.329(15) . ?
C56 C57 1.337(15) . ?
C57 C58 1.401(14) . ?
C63 C64 1.336(13) . ?
C63 C68 1.369(13) . ?
C64 C65 1.379(16) . ?
C65 C66 1.357(19) . ?
C66 C67 1.318(19) . ?
C67 C68 1.410(16) . ?
