#------------------------------------------------------------------------------
#$Date: 2016-03-26 22:22:23 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180502 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/71/7217158.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_7217158
loop_
_publ_author_name
'Yang, Dan'
'Zhou, Hu'
'Yuan, Ai-Hua'
'Li, Yi-Zhi'
_publ_section_title
;
 Sandwich-like octacyanometalate-based cadmium assemblies with the
 4,4′-dipyridyl sulfide ligand
;
_journal_issue                   36
_journal_name_full               CrystEngComm
_journal_page_first              8344
_journal_paper_doi               10.1039/C4CE00965G
_journal_volume                  16
_journal_year                    2014
_chemical_formula_moiety         'C66 H48 Cd3 N26 O4 S5 W2, 4(H2 O)'
_chemical_formula_sum            'C66 H56 Cd3 N26 O8 S5 W2'
_chemical_formula_weight         2206.57
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                 104.534(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   37.855(5)
_cell_length_b                   11.8053(15)
_cell_length_c                   18.885(2)
_cell_measurement_temperature    100(2)
_cell_volume                     8169.4(17)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker Smart Apex CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0441
_diffrn_reflns_av_sigmaI/netI    0.0421
_diffrn_reflns_limit_h_max       46
_diffrn_reflns_limit_h_min       -46
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            29852
_diffrn_reflns_theta_full        25.60
_diffrn_reflns_theta_max         25.60
_diffrn_reflns_theta_min         2.40
_exptl_absorpt_coefficient_mu    3.768
_exptl_absorpt_correction_T_max  0.7044
_exptl_absorpt_correction_T_min  0.5195
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_colour            pale-yellow
_exptl_crystal_density_diffrn    1.794
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             4280
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.10
_refine_diff_density_max         4.259
_refine_diff_density_min         -1.703
_refine_diff_density_rms         0.173
_refine_ls_extinction_coef       0.000049(16)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     496
_refine_ls_number_reflns         7656
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.0532
_refine_ls_R_factor_gt           0.0389
_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)+(0.0376P)²+103.7522P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0869
_refine_ls_wR_factor_ref         0.0915
_reflns_number_gt                6473
_reflns_number_total             7656
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ce00965g2.cif
_cod_data_source_block           2(yd064)
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 7217156--7217159.cif.
;
_cod_original_cell_volume        8169.3(18)
_cod_original_sg_symbol_H-M      'C2/c  '
_cod_database_code               7217158
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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
W1 W 0.129269(6) 0.184521(19) 0.140388(13) 0.01008(9) Uani 1 1 d .
Cd1 Cd 0.169690(12) -0.24612(4) 0.21271(2) 0.01106(11) Uani 1 1 d .
Cd2 Cd 0.0000 0.0000 0.0000 0.01316(15) Uani 1 2 d S
S1 S 0.28247(4) 0.00888(15) 0.02200(9) 0.0206(4) Uani 1 1 d .
S2 S 0.06681(4) -0.60495(14) 0.36956(9) 0.0199(4) Uani 1 1 d .
S3 S 0.0000 0.41260(19) -0.2500 0.0185(5) Uani 1 2 d S
O1 O 0.20976(12) -0.3960(4) 0.2291(3) 0.0237(11) Uani 1 1 d .
H1WA H 0.2086 -0.4595 0.2074 0.014(18) Uiso 1 1 d R
H1WB H 0.2322 -0.3891 0.2508 0.05(3) Uiso 1 1 d R
O2 O -0.00797(12) 0.1228(4) 0.0897(2) 0.0213(10) Uani 1 1 d .
H2WA H -0.0257 0.1129 0.1092 0.032 Uiso 1 1 d R
H2WB H 0.0096 0.1430 0.1251 0.032 Uiso 1 1 d R
O3 O 0.12641(15) 0.0683(5) 0.4226(3) 0.0447(15) Uani 1 1 d .
H3WA H 0.1336 0.1049 0.3920 0.067 Uiso 1 1 d R
H3WB H 0.1367 0.0094 0.4392 0.067 Uiso 1 1 d R
O4 O -0.05533(15) 0.0447(5) 0.1601(3) 0.0433(15) Uani 1 1 d .
H4WB H -0.0752 0.0721 0.1402 0.065 Uiso 1 1 d R
H4WA H -0.0535 0.0710 0.2010 0.065 Uiso 1 1 d R
N1 N 0.13223(14) -0.0827(4) 0.1968(3) 0.0150(11) Uani 1 1 d .
N2 N 0.06172(14) 0.0476(5) 0.0260(3) 0.0173(12) Uani 1 1 d .
N3 N 0.05620(15) 0.1793(5) 0.2063(3) 0.0216(13) Uani 1 1 d .
N4 N 0.07798(16) 0.3913(5) 0.0486(3) 0.0258(14) Uani 1 1 d .
N5 N 0.18017(15) 0.4149(5) 0.1562(3) 0.0226(13) Uani 1 1 d .
N6 N 0.15608(15) 0.1644(5) -0.0134(3) 0.0220(13) Uani 1 1 d .
N7 N 0.21627(14) 0.1094(4) 0.1967(3) 0.0153(11) Uani 1 1 d .
N8 N 0.15512(16) 0.2183(5) 0.3205(3) 0.0265(14) Uani 1 1 d .
N9 N 0.20840(14) -0.1618(4) 0.1479(3) 0.0148(11) Uani 1 1 d .
N10 N 0.20560(14) 0.1656(4) -0.1789(3) 0.0141(11) Uani 1 1 d .
N11 N 0.13158(14) -0.3561(4) 0.2663(3) 0.0153(11) Uani 1 1 d .
N12 N 0.13467(14) -0.6993(4) 0.5967(3) 0.0140(11) Uani 1 1 d .
N13 N -0.01091(14) 0.1512(4) -0.0791(3) 0.0145(11) Uani 1 1 d .
C1 C 0.13022(16) 0.0104(5) 0.1774(3) 0.0134(13) Uani 1 1 d .
C2 C 0.08634(17) 0.0962(5) 0.0636(3) 0.0129(13) Uani 1 1 d .
C3 C 0.08193(16) 0.1837(5) 0.1843(3) 0.0139(13) Uani 1 1 d .
C4 C 0.09490(17) 0.3203(6) 0.0794(4) 0.0177(14) Uani 1 1 d .
C5 C 0.16183(16) 0.3356(5) 0.1502(3) 0.0125(13) Uani 1 1 d .
C6 C 0.14787(16) 0.1729(5) 0.0419(3) 0.0123(13) Uani 1 1 d .
C7 C 0.18668(16) 0.1328(5) 0.1751(3) 0.0119(12) Uani 1 1 d .
C8 C 0.14610(17) 0.2110(5) 0.2578(4) 0.0164(14) Uani 1 1 d .
C9 C 0.19409(17) -0.1027(5) 0.0874(3) 0.0175(14) Uani 1 1 d .
H9 H 0.1682 -0.0977 0.0717 0.021 Uiso 1 1 calc R
C10 C 0.21438(17) -0.0479(5) 0.0458(3) 0.0157(13) Uani 1 1 d .
H10 H 0.2027 -0.0052 0.0037 0.019 Uiso 1 1 calc R
C11 C 0.25226(16) -0.0570(5) 0.0671(3) 0.0140(13) Uani 1 1 d .
C12 C 0.26779(18) -0.1186(6) 0.1307(4) 0.0197(14) Uani 1 1 d .
H12 H 0.2935 -0.1268 0.1472 0.024 Uiso 1 1 calc R
C14 C 0.25279(16) 0.0665(6) -0.0581(3) 0.0153(13) Uani 1 1 d .
C15 C 0.22777(18) 0.0011(5) -0.1070(3) 0.0179(14) Uani 1 1 d .
H15 H 0.2264 -0.0783 -0.1001 0.022 Uiso 1 1 calc R
C16 C 0.20487(18) 0.0541(5) -0.1662(3) 0.0173(14) Uani 1 1 d .
H16 H 0.1876 0.0090 -0.1997 0.021 Uiso 1 1 calc R
C17 C 0.23085(17) 0.2270(5) -0.1328(3) 0.0164(13) Uani 1 1 d .
H17 H 0.2322 0.3059 -0.1418 0.020 Uiso 1 1 calc R
C18 C 0.25515(17) 0.1811(6) -0.0725(3) 0.0179(14) Uani 1 1 d .
H18 H 0.2731 0.2271 -0.0414 0.021 Uiso 1 1 calc R
C19 C 0.12828(17) -0.3384(5) 0.3347(4) 0.0176(14) Uani 1 1 d .
H19 H 0.1397 -0.2736 0.3604 0.021 Uiso 1 1 calc R
C20 C 0.10907(18) -0.4100(5) 0.3694(4) 0.0193(14) Uani 1 1 d .
H20 H 0.1070 -0.3937 0.4175 0.023 Uiso 1 1 calc R
C21 C 0.09272(16) -0.5067(5) 0.3326(3) 0.0140(13) Uani 1 1 d .
C22 C 0.09560(17) -0.5242(5) 0.2619(4) 0.0173(14) Uani 1 1 d .
H22 H 0.0843 -0.5877 0.2346 0.021 Uiso 1 1 calc R
C23 C 0.11527(18) -0.4473(5) 0.2316(4) 0.0167(14) Uani 1 1 d .
H23 H 0.1172 -0.4606 0.1831 0.020 Uiso 1 1 calc R
C24 C 0.09475(17) -0.6386(5) 0.4568(3) 0.0146(13) Uani 1 1 d .
C25 C 0.13201(17) -0.6166(6) 0.4799(4) 0.0196(14) Uani 1 1 d .
H25 H 0.1445 -0.5812 0.4481 0.024 Uiso 1 1 calc R
C26 C 0.15025(17) -0.6471(5) 0.5494(3) 0.0154(13) Uani 1 1 d .
H26 H 0.1755 -0.6301 0.5651 0.018 Uiso 1 1 calc R
C27 C 0.09935(17) -0.7227(6) 0.5731(4) 0.0197(15) Uani 1 1 d .
H27 H 0.0879 -0.7614 0.6055 0.024 Uiso 1 1 calc R
C28 C 0.07805(17) -0.6946(5) 0.5046(3) 0.0161(13) Uani 1 1 d .
H28 H 0.0528 -0.7128 0.4906 0.019 Uiso 1 1 calc R
C29 C 0.00735(17) 0.2481(5) -0.0604(4) 0.0176(14) Uani 1 1 d .
H29 H 0.0189 0.2604 -0.0102 0.021 Uiso 1 1 calc R
C30 C 0.01042(17) 0.3315(5) -0.1099(3) 0.0156(13) Uani 1 1 d .
H30 H 0.0238 0.3989 -0.0942 0.019 Uiso 1 1 calc R
C31 C -0.00671(16) 0.3140(5) -0.1836(3) 0.0147(13) Uani 1 1 d .
C32 C -0.02806(17) 0.2181(6) -0.2032(4) 0.0178(14) Uani 1 1 d .
H32 H -0.0418 0.2074 -0.2523 0.021 Uiso 1 1 calc R
C33 C -0.02904(16) 0.1382(5) -0.1502(3) 0.0156(13) Uani 1 1 d .
H33 H -0.0430 0.0714 -0.1642 0.019 Uiso 1 1 calc R
C13 C 0.24506(17) -0.1670(5) 0.1685(4) 0.0158(13) Uiso 1 1 d .
H13 H 0.2560 -0.2068 0.2122 0.019 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'
N N 0.0061 0.0033 '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'
Cd Cd -0.8075 1.2024 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 '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
C5 W1 C6 79.8(2) . .
C5 W1 C3 119.0(2) . .
C6 W1 C3 144.7(2) . .
C5 W1 C2 141.1(2) . .
C6 W1 C2 75.1(2) . .
C3 W1 C2 72.4(2) . .
C5 W1 C1 142.7(2) . .
C6 W1 C1 103.6(2) . .
C3 W1 C1 79.6(2) . .
C2 W1 C1 73.0(2) . .
C5 W1 C8 77.1(2) . .
C6 W1 C8 144.7(2) . .
C3 W1 C8 70.5(2) . .
C2 W1 C8 137.3(2) . .
C1 W1 C8 80.2(2) . .
C5 W1 C7 72.6(2) . .
C6 W1 C7 74.1(2) . .
C3 W1 C7 137.8(2) . .
C2 W1 C7 126.1(2) . .
C1 W1 C7 72.8(2) . .
C8 W1 C7 73.7(2) . .
C5 W1 C4 72.0(2) . .
C6 W1 C4 82.7(2) . .
C3 W1 C4 76.4(2) . .
C2 W1 C4 75.7(2) . .
C1 W1 C4 145.0(2) . .
C8 W1 C4 114.4(2) . .
C7 W1 C4 140.4(2) . .
O1 Cd1 N12 96.49(17) . 6_545
O1 Cd1 N11 88.42(17) . .
N12 Cd1 N11 89.23(18) 6_545 .
O1 Cd1 N9 85.39(17) . .
N12 Cd1 N9 84.83(18) 6_545 .
N11 Cd1 N9 170.88(18) . .
O1 Cd1 N10 88.65(17) . 6_556
N12 Cd1 N10 171.61(17) 6_545 6_556
N11 Cd1 N10 97.55(18) . 6_556
N9 Cd1 N10 89.00(17) . 6_556
O1 Cd1 N1 175.72(17) . .
N12 Cd1 N1 85.71(17) 6_545 .
N11 Cd1 N1 95.30(18) . .
N9 Cd1 N1 91.16(18) . .
N10 Cd1 N1 88.74(17) 6_556 .
N13 Cd2 N13 180.00 5 .
N13 Cd2 O2 87.36(17) 5 5
N13 Cd2 O2 92.64(17) . 5
N13 Cd2 O2 92.64(17) 5 .
N13 Cd2 O2 87.36(17) . .
O2 Cd2 O2 180.00 5 .
N13 Cd2 N2 92.49(18) 5 .
N13 Cd2 N2 87.51(18) . .
O2 Cd2 N2 89.85(17) 5 .
O2 Cd2 N2 90.15(17) . .
N13 Cd2 N2 87.51(18) 5 5
N13 Cd2 N2 92.49(18) . 5
O2 Cd2 N2 90.15(17) 5 5
O2 Cd2 N2 89.85(17) . 5
N2 Cd2 N2 180.00 . 5
C11 S1 C14 103.3(3) . .
C24 S2 C21 104.7(3) . .
C31 S3 C31 98.0(4) 2_554 .
C1 N1 Cd1 143.6(5) . .
C2 N2 Cd2 148.1(5) . .
C9 N9 C13 116.1(5) . .
C9 N9 Cd1 119.7(4) . .
C13 N9 Cd1 124.2(4) . .
C17 N10 C16 117.4(6) . .
C17 N10 Cd1 120.7(4) . 6
C16 N10 Cd1 121.3(4) . 6
C23 N11 C19 117.1(5) . .
C23 N11 Cd1 119.6(4) . .
C19 N11 Cd1 122.9(4) . .
C27 N12 C26 116.6(5) . .
C27 N12 Cd1 122.7(4) . 6_546
C26 N12 Cd1 120.6(4) . 6_546
C29 N13 C33 117.3(5) . .
C29 N13 Cd2 119.7(4) . .
C33 N13 Cd2 121.3(4) . .
N1 C1 W1 177.1(5) . .
N2 C2 W1 175.0(5) . .
N3 C3 W1 177.2(5) . .
N4 C4 W1 178.5(6) . .
N5 C5 W1 178.1(6) . .
N6 C6 W1 176.3(6) . .
N7 C7 W1 176.0(5) . .
N8 C8 W1 176.1(6) . .
N9 C9 C10 124.5(6) . .
C9 C10 C11 118.4(6) . .
C10 C11 C12 117.9(6) . .
C10 C11 S1 124.7(5) . .
C12 C11 S1 117.3(5) . .
C13 C12 C11 118.6(6) . .
C15 C14 C18 118.7(6) . .
C15 C14 S1 122.5(5) . .
C18 C14 S1 118.8(5) . .
C16 C15 C14 118.3(6) . .
N10 C16 C15 123.6(6) . .
N10 C17 C18 123.0(6) . .
C17 C18 C14 118.8(6) . .
N11 C19 C20 123.2(6) . .
C19 C20 C21 118.9(6) . .
C22 C21 C20 118.0(6) . .
C22 C21 S2 117.9(5) . .
C20 C21 S2 124.0(5) . .
C21 C22 C23 118.9(6) . .
N11 C23 C22 123.9(6) . .
C28 C24 C25 118.3(6) . .
C28 C24 S2 116.7(5) . .
C25 C24 S2 125.0(5) . .
C26 C25 C24 118.6(6) . .
N12 C26 C25 124.1(6) . .
N12 C27 C28 124.5(6) . .
C27 C28 C24 117.9(6) . .
N13 C29 C30 123.7(6) . .
C29 C30 C31 118.2(6) . .
C32 C31 C30 118.8(6) . .
C32 C31 S3 121.6(5) . .
C30 C31 S3 119.6(5) . .
C33 C32 C31 118.9(6) . .
N13 C33 C32 122.8(6) . .
N9 C13 C12 124.5(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 C5 2.149(6) .
W1 C6 2.151(6) .
W1 C3 2.155(6) .
W1 C2 2.156(6) .
W1 C1 2.168(6) .
W1 C8 2.171(6) .
W1 C7 2.193(6) .
W1 C4 2.199(7) .
Cd1 O1 2.301(4) .
Cd1 N12 2.349(5) 6_545
Cd1 N11 2.351(5) .
Cd1 N9 2.353(5) .
Cd1 N10 2.355(5) 6_556
Cd1 N1 2.369(5) .
Cd2 N13 2.298(5) 5
Cd2 N13 2.298(5) .
Cd2 O2 2.307(4) 5
Cd2 O2 2.307(4) .
Cd2 N2 2.332(5) .
Cd2 N2 2.332(5) 5
S1 C11 1.768(6) .
S1 C14 1.777(6) .
S2 C24 1.766(6) .
S2 C21 1.771(6) .
S3 C31 1.775(6) 2_554
S3 C31 1.775(6) .
N1 C1 1.155(8) .
N2 C2 1.170(8) .
N3 C3 1.152(8) .
N4 C4 1.124(8) .
N5 C5 1.154(8) .
N6 C6 1.167(8) .
N7 C7 1.126(8) .
N8 C8 1.149(8) .
N9 C9 1.331(8) .
N9 C13 1.346(8) .
N10 C17 1.334(8) .
N10 C16 1.339(8) .
N10 Cd1 2.355(5) 6
N11 C23 1.329(8) .
N11 C19 1.344(8) .
N12 C27 1.328(8) .
N12 C26 1.337(8) .
N12 Cd1 2.349(5) 6_546
N13 C29 1.338(8) .
N13 C33 1.353(8) .
C9 C10 1.390(9) .
C10 C11 1.393(8) .
C11 C12 1.401(9) .
C12 C13 1.373(9) .
C14 C15 1.381(9) .
C14 C18 1.387(9) .
C15 C16 1.380(9) .
C17 C18 1.383(9) .
C19 C20 1.383(9) .
C20 C21 1.398(9) .
C21 C22 1.383(9) .
C22 C23 1.385(9) .
C24 C28 1.392(9) .
C24 C25 1.392(9) .
C25 C26 1.369(9) .
C27 C28 1.382(9) .
C29 C30 1.383(9) .
C30 C31 1.396(9) .
C31 C32 1.386(9) .
C32 C33 1.383(9) .
