#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:21:14 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179786 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/82/7008200.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_7008200
loop_
_publ_author_name
'Han, Jaehong'
'Coucouvanis, Dimitri'
_publ_section_title
;
 Synthesis and structure of the organometallic MFe2(mu3-S)2 clusters (M
 = Mo or Fe).
;
_journal_issue                   7
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1234
_journal_page_last               1240
_journal_paper_doi               10.1039/b419051c
_journal_year                    2005
_chemical_formula_sum            'C31 H49 Cl4 Fe2 Mo O7 P2 S2'
_chemical_formula_weight         1009.20
_chemical_name_common            (Cl4-cat)Mo(O)Fe2S2(PnPR3)2(CO)4
_chemical_name_systematic
;
(Cl4-cat)Mo(O)Fe2S2(PnPR3)2(CO)4
;
_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                103.6170(10)
_cell_angle_beta                 100.9500(10)
_cell_angle_gamma                94.6490(10)
_cell_formula_units_Z            2
_cell_length_a                   9.4995(4)
_cell_length_b                   14.0311(5)
_cell_length_c                   16.7235(6)
_cell_measurement_temperature    158(2)
_cell_volume                     2108.39(14)
_computing_data_collection       'SMART CCD'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      158(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_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  0.1553
_diffrn_reflns_av_sigmaI/netI    0.2402
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            14750
_diffrn_reflns_theta_full        23.27
_diffrn_reflns_theta_max         23.27
_diffrn_reflns_theta_min         1.28
_exptl_absorpt_coefficient_mu    1.441
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.590
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1030
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_refine_diff_density_max         2.556
_refine_diff_density_min         -2.418
_refine_diff_density_rms         0.313
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.941
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     272
_refine_ls_number_reflns         6035
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.941
_refine_ls_R_factor_all          0.2164
_refine_ls_R_factor_gt           0.1149
_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)+(0.1793P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2684
_refine_ls_wR_factor_ref         0.3231
_reflns_number_gt                2779
_reflns_number_total             6035
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b419051c.txt
_cod_data_source_block           compoundII
_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_sg_symbol_H-M      P-1
_cod_database_code               7008200
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
Mo1 Mo -0.36619(17) -0.74833(12) -0.33962(10) 0.0271(5) Uani 1 1 d . . .
Fe2 Fe -0.3655(3) -0.67930(19) -0.48658(16) 0.0236(7) Uani 1 1 d . . .
Fe1 Fe -0.1231(3) -0.61584(19) -0.37991(16) 0.0253(7) Uani 1 1 d . . .
S2 S -0.3438(5) -0.5858(4) -0.3538(3) 0.0271(12) Uani 1 1 d . . .
S1 S -0.2163(5) -0.7785(3) -0.4368(3) 0.0257(12) Uani 1 1 d . . .
Cl1 Cl -0.0815(5) -0.9587(4) -0.1814(3) 0.0368(13) Uani 1 1 d . . .
Cl2 Cl -0.0905(6) -0.9016(4) 0.0123(3) 0.0433(14) Uani 1 1 d . . .
Cl3 Cl -0.2563(6) -0.7287(4) 0.0823(3) 0.0416(14) Uani 1 1 d . . .
Cl4 Cl -0.4088(6) -0.6096(4) -0.0405(3) 0.0433(14) Uani 1 1 d . . .
P2 P -0.4502(5) -0.8027(4) -0.6027(3) 0.0282(13) Uani 1 1 d . . .
P1 P 0.0393(5) -0.6077(4) -0.2622(3) 0.0290(13) Uani 1 1 d . . .
O1 O -0.5319(13) -0.8130(9) -0.3841(7) 0.032(3) Uiso 1 1 d . . .
O2 O -0.2456(12) -0.8332(8) -0.2773(7) 0.023(3) Uiso 1 1 d . . .
O3 O -0.3700(13) -0.6846(8) -0.2179(7) 0.025(3) Uiso 1 1 d . . .
O4 O 0.0893(14) -0.6659(10) -0.4841(8) 0.044(4) Uani 1 1 d . . .
O5 O -0.0681(15) -0.4012(10) -0.3542(8) 0.043(4) Uani 1 1 d . . .
O7 O -0.2230(14) -0.5635(10) -0.5792(8) 0.039(4) Uani 1 1 d . . .
O6 O -0.6351(13) -0.5951(10) -0.5197(9) 0.043(4) Uani 1 1 d . . .
C1 C -0.2460(19) -0.8127(12) -0.1958(10) 0.023(4) Uiso 1 1 d . . .
C2 C -0.174(2) -0.8638(13) -0.1416(11) 0.028(5) Uiso 1 1 d . . .
C3 C -0.176(2) -0.8381(13) -0.0548(11) 0.026(4) Uiso 1 1 d . . .
C4 C -0.251(2) -0.7597(13) -0.0230(11) 0.028(5) Uiso 1 1 d . . .
C5 C -0.318(2) -0.7072(13) -0.0762(11) 0.025(4) Uiso 1 1 d . . .
C6 C -0.3143(19) -0.7352(13) -0.1626(11) 0.025(4) Uiso 1 1 d . . .
C7 C 0.009(2) -0.6468(15) -0.4440(13) 0.040(5) Uiso 1 1 d . . .
C8 C -0.087(2) -0.4862(14) -0.3657(11) 0.027(5) Uiso 1 1 d . . .
C9 C -0.532(2) -0.6286(14) -0.5079(11) 0.031(5) Uiso 1 1 d . . .
C10 C -0.273(2) -0.6073(13) -0.5404(11) 0.026(4) Uiso 1 1 d . . .
C11 C -0.572(2) -0.9044(14) -0.5884(13) 0.042(6) Uiso 1 1 d . . .
H11A H -0.5864 -0.9614 -0.6384 0.050 Uiso 1 1 calc R . .
H11B H -0.5245 -0.9260 -0.5387 0.050 Uiso 1 1 calc R . .
C12 C -0.722(2) -0.8734(15) -0.5757(13) 0.043(6) Uiso 1 1 d . . .
H12A H -0.7075 -0.8128 -0.5290 0.051 Uiso 1 1 calc R . .
H12B H -0.7740 -0.8586 -0.6276 0.051 Uiso 1 1 calc R . .
C13 C -0.811(2) -0.9553(15) -0.5556(13) 0.050(6) Uiso 1 1 d . . .
H13A H -0.9050 -0.9348 -0.5480 0.076 Uiso 1 1 calc R . .
H13B H -0.7602 -0.9692 -0.5037 0.076 Uiso 1 1 calc R . .
H13C H -0.8263 -1.0151 -0.6022 0.076 Uiso 1 1 calc R . .
C14 C -0.556(2) -0.7588(13) -0.6867(11) 0.035(5) Uiso 1 1 d . . .
H14A H -0.6393 -0.7311 -0.6665 0.042 Uiso 1 1 calc R . .
H14B H -0.4952 -0.7039 -0.6967 0.042 Uiso 1 1 calc R . .
C15 C -0.613(2) -0.8337(16) -0.7696(13) 0.050(6) Uiso 1 1 d . . .
H15A H -0.6579 -0.8948 -0.7597 0.060 Uiso 1 1 calc R . .
H15B H -0.5317 -0.8507 -0.7972 0.060 Uiso 1 1 calc R . .
C16 C -0.727(2) -0.7935(16) -0.8288(13) 0.055(6) Uiso 1 1 d . . .
H16A H -0.7634 -0.8445 -0.8817 0.082 Uiso 1 1 calc R . .
H16B H -0.6811 -0.7346 -0.8407 0.082 Uiso 1 1 calc R . .
H16C H -0.8067 -0.7762 -0.8014 0.082 Uiso 1 1 calc R . .
C17 C -0.315(2) -0.8691(14) -0.6495(12) 0.039(5) Uiso 1 1 d . . .
H17A H -0.2585 -0.8983 -0.6076 0.047 Uiso 1 1 calc R . .
H17B H -0.3654 -0.9238 -0.6983 0.047 Uiso 1 1 calc R . .
C18 C -0.210(2) -0.7992(13) -0.6793(11) 0.031(5) Uiso 1 1 d . . .
H18A H -0.2666 -0.7645 -0.7169 0.037 Uiso 1 1 calc R . .
H18B H -0.1514 -0.7487 -0.6298 0.037 Uiso 1 1 calc R . .
C19 C -0.108(3) -0.8601(17) -0.7268(14) 0.062(7) Uiso 1 1 d . . .
H19A H -0.0426 -0.8157 -0.7445 0.092 Uiso 1 1 calc R . .
H19B H -0.1664 -0.9089 -0.7766 0.092 Uiso 1 1 calc R . .
H19C H -0.0522 -0.8942 -0.6895 0.092 Uiso 1 1 calc R . .
C20 C -0.017(2) -0.5547(13) -0.1637(11) 0.033(5) Uiso 1 1 d . . .
H20A H -0.0915 -0.6035 -0.1563 0.040 Uiso 1 1 calc R . .
H20B H 0.0675 -0.5460 -0.1165 0.040 Uiso 1 1 calc R . .
C21 C -0.076(2) -0.4584(14) -0.1562(12) 0.042(6) Uiso 1 1 d . . .
H21A H -0.1719 -0.4686 -0.1949 0.050 Uiso 1 1 calc R . .
H21B H -0.0107 -0.4116 -0.1730 0.050 Uiso 1 1 calc R . .
C22 C -0.091(2) -0.4137(15) -0.0649(12) 0.046(6) Uiso 1 1 d . . .
H22A H -0.1288 -0.3504 -0.0614 0.069 Uiso 1 1 calc R . .
H22B H 0.0045 -0.4032 -0.0268 0.069 Uiso 1 1 calc R . .
H22C H -0.1569 -0.4593 -0.0488 0.069 Uiso 1 1 calc R . .
C23 C 0.2063(19) -0.5266(13) -0.2579(11) 0.027(5) Uiso 1 1 d . . .
H23A H 0.2339 -0.5454 -0.3131 0.033 Uiso 1 1 calc R . .
H23B H 0.1848 -0.4575 -0.2490 0.033 Uiso 1 1 calc R . .
C24 C 0.333(2) -0.5307(14) -0.1904(11) 0.035(5) Uiso 1 1 d . . .
H24A H 0.3614 -0.5980 -0.2017 0.042 Uiso 1 1 calc R . .
H24B H 0.3043 -0.5167 -0.1352 0.042 Uiso 1 1 calc R . .
C25 C 0.466(2) -0.4528(14) -0.1864(12) 0.039(5) Uiso 1 1 d . . .
H25A H 0.5476 -0.4579 -0.1425 0.059 Uiso 1 1 calc R . .
H25B H 0.4389 -0.3859 -0.1731 0.059 Uiso 1 1 calc R . .
H25C H 0.4942 -0.4665 -0.2410 0.059 Uiso 1 1 calc R . .
C26 C 0.098(2) -0.7221(13) -0.2470(11) 0.030(5) Uiso 1 1 d . . .
H26A H 0.1705 -0.7071 -0.1931 0.036 Uiso 1 1 calc R . .
H26B H 0.0143 -0.7644 -0.2411 0.036 Uiso 1 1 calc R . .
C27 C 0.166(2) -0.7837(14) -0.3175(12) 0.041(5) Uiso 1 1 d . . .
H27A H 0.0930 -0.8037 -0.3711 0.049 Uiso 1 1 calc R . .
H27B H 0.2483 -0.7417 -0.3259 0.049 Uiso 1 1 calc R . .
C28 C 0.220(2) -0.8757(15) -0.2959(13) 0.054(6) Uiso 1 1 d . . .
H28A H 0.2611 -0.9119 -0.3416 0.081 Uiso 1 1 calc R . .
H28B H 0.1387 -0.9183 -0.2885 0.081 Uiso 1 1 calc R . .
H28C H 0.2940 -0.8564 -0.2435 0.081 Uiso 1 1 calc R . .
C29 C 0.464(3) 0.0411(17) 0.0046(15) 0.068(8) Uiso 1 1 d . . .
H29A H 0.5331 0.0973 0.0426 0.082 Uiso 1 1 calc R . .
H29B H 0.3866 0.0290 0.0347 0.082 Uiso 1 1 calc R . .
C30 C 0.393(3) 0.077(2) -0.0730(17) 0.097(10) Uiso 1 1 d . . .
H30A H 0.4681 0.0894 -0.1042 0.116 Uiso 1 1 calc R . .
H30B H 0.3198 0.0226 -0.1109 0.116 Uiso 1 1 calc R . .
C31 C 0.321(3) 0.168(2) -0.0517(18) 0.102(10) Uiso 1 1 d . . .
H31A H 0.2800 0.1862 -0.1036 0.153 Uiso 1 1 calc R . .
H31B H 0.3932 0.2228 -0.0150 0.153 Uiso 1 1 calc R . .
H31C H 0.2442 0.1559 -0.0225 0.153 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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 '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'
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 Mo1 O3 106.3(5) . . ?
O1 Mo1 O2 108.2(5) . . ?
O3 Mo1 O2 78.2(4) . . ?
O1 Mo1 S2 114.0(4) . . ?
O3 Mo1 S2 85.0(3) . . ?
O2 Mo1 S2 137.5(4) . . ?
O1 Mo1 S1 109.2(4) . . ?
O3 Mo1 S1 144.2(4) . . ?
O2 Mo1 S1 86.0(3) . . ?
S2 Mo1 S1 85.36(16) . . ?
O1 Mo1 Fe2 90.3(4) . . ?
O3 Mo1 Fe2 135.2(3) . . ?
O2 Mo1 Fe2 136.1(3) . . ?
S2 Mo1 Fe2 50.47(13) . . ?
S1 Mo1 Fe2 50.20(13) . . ?
C10 Fe2 C9 94.4(8) . . ?
C10 Fe2 P2 93.4(6) . . ?
C9 Fe2 P2 88.6(6) . . ?
C10 Fe2 S1 109.1(6) . . ?
C9 Fe2 S1 156.4(6) . . ?
P2 Fe2 S1 88.7(2) . . ?
C10 Fe2 S2 107.1(6) . . ?
C9 Fe2 S2 84.5(6) . . ?
P2 Fe2 S2 158.8(2) . . ?
S1 Fe2 S2 89.71(19) . . ?
C10 Fe2 Fe1 78.4(6) . . ?
C9 Fe2 Fe1 133.7(6) . . ?
P2 Fe2 Fe1 137.04(17) . . ?
S1 Fe2 Fe1 56.08(15) . . ?
S2 Fe2 Fe1 55.62(14) . . ?
C10 Fe2 Mo1 148.3(6) . . ?
C9 Fe2 Mo1 106.3(6) . . ?
P2 Fe2 Mo1 110.42(16) . . ?
S1 Fe2 Mo1 53.27(13) . . ?
S2 Fe2 Mo1 53.18(13) . . ?
Fe1 Fe2 Mo1 70.02(9) . . ?
C8 Fe1 C7 95.2(9) . . ?
C8 Fe1 P1 91.1(6) . . ?
C7 Fe1 P1 91.6(7) . . ?
C8 Fe1 S2 85.7(6) . . ?
C7 Fe1 S2 156.3(7) . . ?
P1 Fe1 S2 112.1(2) . . ?
C8 Fe1 S1 161.7(6) . . ?
C7 Fe1 S1 83.4(7) . . ?
P1 Fe1 S1 107.3(2) . . ?
S2 Fe1 S1 88.42(19) . . ?
C8 Fe1 Fe2 108.3(6) . . ?
C7 Fe1 Fe2 102.7(7) . . ?
P1 Fe1 Fe2 154.50(18) . . ?
S2 Fe1 Fe2 55.11(15) . . ?
S1 Fe1 Fe2 54.70(14) . . ?
Fe2 S2 Fe1 69.27(15) . . ?
Fe2 S2 Mo1 76.35(16) . . ?
Fe1 S2 Mo1 84.94(17) . . ?
Fe2 S1 Fe1 69.23(16) . . ?
Fe2 S1 Mo1 76.53(15) . . ?
Fe1 S1 Mo1 84.63(17) . . ?
C14 P2 C17 105.7(9) . . ?
C14 P2 C11 105.2(9) . . ?
C17 P2 C11 102.1(9) . . ?
C14 P2 Fe2 111.4(6) . . ?
C17 P2 Fe2 116.5(7) . . ?
C11 P2 Fe2 114.7(7) . . ?
C26 P1 C20 103.1(8) . . ?
C26 P1 C23 105.4(8) . . ?
C20 P1 C23 104.8(9) . . ?
C26 P1 Fe1 117.1(6) . . ?
C20 P1 Fe1 115.2(6) . . ?
C23 P1 Fe1 110.0(6) . . ?
C1 O2 Mo1 113.1(10) . . ?
C6 O3 Mo1 114.5(10) . . ?
O2 C1 C6 118.5(15) . . ?
O2 C1 C2 122.8(15) . . ?
C6 C1 C2 118.6(16) . . ?
C1 C2 C3 120.7(16) . . ?
C1 C2 Cl1 119.4(13) . . ?
C3 C2 Cl1 119.9(13) . . ?
C2 C3 C4 119.3(16) . . ?
C2 C3 Cl2 121.2(13) . . ?
C4 C3 Cl2 119.5(14) . . ?
C5 C4 C3 119.7(16) . . ?
C5 C4 Cl3 120.4(14) . . ?
C3 C4 Cl3 119.8(14) . . ?
C4 C5 C6 119.3(16) . . ?
C4 C5 Cl4 121.8(14) . . ?
C6 C5 Cl4 118.9(13) . . ?
O3 C6 C1 114.7(15) . . ?
O3 C6 C5 123.0(15) . . ?
C1 C6 C5 122.2(16) . . ?
O4 C7 Fe1 180(2) . . ?
O5 C8 Fe1 176.9(17) . . ?
O6 C9 Fe2 178.4(19) . . ?
O7 C10 Fe2 174.9(17) . . ?
C12 C11 P2 112.5(14) . . ?
C13 C12 C11 110.5(17) . . ?
C15 C14 P2 116.7(13) . . ?
C14 C15 C16 111.4(17) . . ?
C18 C17 P2 111.9(13) . . ?
C19 C18 C17 110.2(16) . . ?
C21 C20 P1 117.0(13) . . ?
C20 C21 C22 110.9(15) . . ?
C24 C23 P1 114.6(12) . . ?
C23 C24 C25 111.1(15) . . ?
C27 C26 P1 116.9(12) . . ?
C28 C27 C26 112.3(16) . . ?
C29 C29 C30 121(3) 2_655 . ?
C31 C30 C29 114(2) . . ?
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
Mo1 O1 1.691(13) . ?
Mo1 O3 2.029(11) . ?
Mo1 O2 2.042(11) . ?
Mo1 S2 2.345(5) . ?
Mo1 S1 2.346(5) . ?
Mo1 Fe2 2.847(3) . ?
Fe2 C10 1.786(19) . ?
Fe2 C9 1.79(2) . ?
Fe2 P2 2.239(6) . ?
Fe2 S1 2.249(5) . ?
Fe2 S2 2.260(5) . ?
Fe2 Fe1 2.576(4) . ?
Fe1 C8 1.774(19) . ?
Fe1 C7 1.81(2) . ?
Fe1 P1 2.231(6) . ?
Fe1 S2 2.274(5) . ?
Fe1 S1 2.287(5) . ?
Cl1 C2 1.729(18) . ?
Cl2 C3 1.718(18) . ?
Cl3 C4 1.721(18) . ?
Cl4 C5 1.727(17) . ?
P2 C14 1.825(18) . ?
P2 C17 1.831(19) . ?
P2 C11 1.85(2) . ?
P1 C26 1.801(17) . ?
P1 C20 1.838(18) . ?
P1 C23 1.855(18) . ?
O2 C1 1.326(18) . ?
O3 C6 1.349(19) . ?
O4 C7 1.12(2) . ?
O5 C8 1.16(2) . ?
O7 C10 1.13(2) . ?
O6 C9 1.13(2) . ?
C1 C6 1.37(2) . ?
C1 C2 1.40(2) . ?
C2 C3 1.41(2) . ?
C3 C4 1.42(2) . ?
C4 C5 1.38(2) . ?
C5 C6 1.41(2) . ?
C11 C12 1.56(3) . ?
C12 C13 1.51(3) . ?
C14 C15 1.50(2) . ?
C15 C16 1.55(3) . ?
C17 C18 1.57(3) . ?
C18 C19 1.55(3) . ?
C20 C21 1.49(2) . ?
C21 C22 1.55(2) . ?
C23 C24 1.50(2) . ?
C24 C25 1.58(3) . ?
C26 C27 1.57(2) . ?
C27 C28 1.52(3) . ?
C29 C29 1.38(4) 2_655 ?
C29 C30 1.55(3) . ?
C30 C31 1.51(3) . ?
