#------------------------------------------------------------------------------
#$Date: 2016-03-24 03:25:37 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179630 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/94/4509466.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_4509466
loop_
_publ_author_name
'Tzeng, Biing-Chiau'
'Yeh, Hsien-Te'
'Chang, Tsung-Yi'
'Lee, Gene-Hsiang'
_publ_section_title
;
 Novel Coordinated-Solvent Induced Assembly of Cd(II) Coordination
 Polymers Containing 4,4′-Dipyridylsulfide
;
_journal_issue                   6
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              2552
_journal_paper_doi               10.1021/cg900119a
_journal_volume                  9
_journal_year                    2009
_chemical_formula_sum            'C31 H26 Cd2 Cl2 N10 O12 S3'
_chemical_formula_weight         1122.50
_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                104.4338(4)
_cell_angle_beta                 100.1570(5)
_cell_angle_gamma                109.3781(5)
_cell_formula_units_Z            2
_cell_length_a                   11.2141(1)
_cell_length_b                   12.5092(1)
_cell_length_c                   17.2612(2)
_cell_measurement_reflns_used    all
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      1.27
_cell_volume                     2121.32(4)
_computing_cell_refinement       DENZO-SMN
_computing_data_collection       'NONIUS COLLECT'
_computing_data_reduction        DENZO-SMN
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'NONIUS KappaCCD'
_diffrn_measurement_method       'ω 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  0.0396
_diffrn_reflns_av_sigmaI/netI    0.0442
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            30381
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.27
_exptl_absorpt_coefficient_mu    1.345
_exptl_absorpt_correction_T_max  0.904
_exptl_absorpt_correction_T_min  0.795
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.757
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1112
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.14
_refine_diff_density_max         1.438
_refine_diff_density_min         -0.850
_refine_diff_density_rms         0.212
_refine_ls_extinction_coef       0.0253(17)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     537
_refine_ls_number_reflns         9720
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0886
_refine_ls_R_factor_gt           0.0560
_refine_ls_shift/su_max          0.015
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1119P)²+2.0267P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1529
_refine_ls_wR_factor_ref         0.1878
_reflns_number_gt                6836
_reflns_number_total             9720
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg900119asup1.cif
_cod_data_source_block           1
_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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not_measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4509466
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
Cd1 Cd 0.87292(4) 1.28100(4) 1.15738(2) 0.06053(18) Uani 1 1 d .
Cd2 Cd 1.31330(4) 2.21569(3) 1.61530(2) 0.05352(17) Uani 1 1 d .
S1 S 1.25129(16) 1.63169(12) 1.55826(9) 0.0687(4) Uani 1 1 d .
S2 S 1.44195(17) 2.35568(19) 2.03961(10) 0.0814(5) Uani 1 1 d .
S3 S 1.24050(18) 2.1229(2) 1.19784(11) 0.0988(7) Uani 1 1 d .
O1 O 0.8577(5) 1.4544(4) 1.1284(3) 0.0861(13) Uani 1 1 d .
O2 O 0.7797(5) 1.2896(5) 1.0229(3) 0.0880(13) Uani 1 1 d .
O3 O 0.7887(8) 1.4567(6) 1.0043(4) 0.127(2) Uani 1 1 d .
O4 O 0.8869(5) 1.1283(4) 1.2134(3) 0.0827(13) Uani 1 1 d .
O5 O 0.8100(5) 1.0555(5) 1.0811(3) 0.0909(14) Uani 1 1 d .
O6 O 0.8493(9) 0.9467(5) 1.1541(4) 0.135(3) Uani 1 1 d .
O7 O 1.0877(4) 2.0929(4) 1.6024(4) 0.0869(14) Uani 1 1 d .
O8 O 1.1261(4) 2.2734(4) 1.6081(3) 0.0811(12) Uani 1 1 d .
O9 O 0.9311(5) 2.1552(6) 1.6030(5) 0.124(2) Uani 1 1 d .
O10 O 1.5467(5) 2.3241(6) 1.6404(3) 0.0901(14) Uani 1 1 d .
O11 O 1.4283(6) 2.4292(4) 1.6440(4) 0.0959(15) Uani 1 1 d .
O12 O 1.6374(6) 2.5182(6) 1.6655(4) 0.141(3) Uani 1 1 d .
N1 N 0.9896(5) 1.4024(4) 1.2959(3) 0.0579(10) Uani 1 1 d .
N2 N 1.3178(4) 2.0227(4) 1.5975(3) 0.0538(10) Uani 1 1 d .
N3 N 1.0625(5) 2.3105(4) 2.1147(3) 0.0645(12) Uani 1 1 d .
N4 N 1.3557(4) 2.2637(4) 1.7587(3) 0.0583(11) Uani 1 1 d .
N5 N 1.6564(5) 2.2281(5) 1.1674(3) 0.0722(13) Uani 1 1 d .
N6 N 1.2874(5) 2.1908(4) 1.4757(3) 0.0588(10) Uani 1 1 d .
N7 N 0.8101(6) 1.4010(6) 1.0506(4) 0.0857(16) Uani 1 1 d .
N8 N 0.8475(6) 1.0404(4) 1.1481(4) 0.0773(15) Uani 1 1 d .
N9 N 1.0456(5) 2.1732(5) 1.6032(4) 0.0727(13) Uani 1 1 d .
N10 N 1.5396(7) 2.4264(7) 1.6506(3) 0.095(2) Uani 1 1 d .
C1 C 1.0592(6) 1.3636(5) 1.3455(4) 0.0667(15) Uani 1 1 d .
H1A H 1.0532 1.2853 1.3250 0.080 Uiso 1 1 calc R
C2 C 1.1387(6) 1.4330(5) 1.4245(4) 0.0646(14) Uani 1 1 d .
H2A H 1.1856 1.4020 1.4561 0.078 Uiso 1 1 calc R
C3 C 1.1487(5) 1.5479(4) 1.4565(3) 0.0524(11) Uani 1 1 d .
C4 C 1.0743(6) 1.5892(5) 1.4080(3) 0.0664(15) Uani 1 1 d .
H4A H 1.0758 1.6660 1.4285 0.080 Uiso 1 1 calc R
C5 C 0.9971(6) 1.5134(5) 1.3277(3) 0.0635(14) Uani 1 1 d .
H5A H 0.9486 1.5420 1.2949 0.076 Uiso 1 1 calc R
C6 C 1.2720(6) 1.9642(5) 1.6484(4) 0.0648(14) Uani 1 1 d .
H6A H 1.2542 2.0062 1.6945 0.078 Uiso 1 1 calc R
C7 C 1.2503(6) 1.8468(5) 1.6365(4) 0.0620(13) Uani 1 1 d .
H7A H 1.2191 1.8105 1.6739 0.074 Uiso 1 1 calc R
C8 C 1.2747(5) 1.7828(4) 1.5689(3) 0.0539(11) Uani 1 1 d .
C9 C 1.3214(5) 1.8399(5) 1.5153(3) 0.0588(12) Uani 1 1 d .
H9A H 1.3385 1.7987 1.4686 0.071 Uiso 1 1 calc R
C10 C 1.3425(5) 1.9596(5) 1.5322(3) 0.0581(12) Uani 1 1 d .
H10A H 1.3755 1.9982 1.4963 0.070 Uiso 1 1 calc R
C11 C 1.1757(7) 2.4052(6) 2.1555(4) 0.0748(16) Uani 1 1 d .
H11A H 1.1779 2.4624 2.2027 0.090 Uiso 1 1 calc R
C12 C 1.2887(6) 2.4225(6) 2.1315(4) 0.0732(16) Uani 1 1 d .
H12A H 1.3646 2.4909 2.1614 0.088 Uiso 1 1 calc R
C13 C 1.2903(6) 2.3399(5) 2.0641(3) 0.0629(14) Uani 1 1 d .
C14 C 1.1746(7) 2.2416(6) 2.0217(4) 0.0742(17) Uani 1 1 d .
H14A H 1.1715 2.1831 1.9750 0.089 Uiso 1 1 calc R
C15 C 1.0645(6) 2.2296(6) 2.0478(4) 0.0732(16) Uani 1 1 d .
H15A H 0.9873 2.1624 2.0179 0.088 Uiso 1 1 calc R
C16 C 1.2831(6) 2.3098(5) 1.7999(3) 0.0607(13) Uani 1 1 d .
H16A H 1.2165 2.3242 1.7694 0.073 Uiso 1 1 calc R
C17 C 1.3019(6) 2.3368(5) 1.8844(4) 0.0639(14) Uani 1 1 d .
H17A H 1.2492 2.3685 1.9102 0.077 Uiso 1 1 calc R
C18 C 1.3996(5) 2.3161(5) 1.9298(3) 0.0596(13) Uani 1 1 d .
C19 C 1.4754(6) 2.2698(6) 1.8880(4) 0.0698(15) Uani 1 1 d .
H19A H 1.5434 2.2555 1.9171 0.084 Uiso 1 1 calc R
C20 C 1.4495(6) 2.2452(6) 1.8037(4) 0.0679(15) Uani 1 1 d .
H20A H 1.5011 2.2135 1.7766 0.082 Uiso 1 1 calc R
C21 C 1.5653(7) 2.1161(7) 1.1296(5) 0.093(2) Uani 1 1 d .
H21A H 1.5873 2.0590 1.0963 0.112 Uiso 1 1 calc R
C22 C 1.4381(7) 2.0824(8) 1.1388(5) 0.096(2) Uani 1 1 d .
H22A H 1.3772 2.0037 1.1123 0.115 Uiso 1 1 calc R
C23 C 1.4027(7) 2.1666(7) 1.1874(4) 0.0778(18) Uani 1 1 d .
C24 C 1.4958(7) 2.2823(7) 1.2223(4) 0.0786(18) Uani 1 1 d .
H24A H 1.4751 2.3427 1.2530 0.094 Uiso 1 1 calc R
C25 C 1.6193(7) 2.3083(7) 1.2116(4) 0.0721(16) Uani 1 1 d .
H25A H 1.6811 2.3869 1.2369 0.087 Uiso 1 1 calc R
C26 C 1.3909(6) 2.2361(8) 1.4493(4) 0.090(2) Uani 1 1 d .
H26A H 1.4721 2.2822 1.4890 0.108 Uiso 1 1 calc R
C27 C 1.3858(7) 2.2192(9) 1.3668(5) 0.105(3) Uani 1 1 d .
H27A H 1.4619 2.2519 1.3517 0.126 Uiso 1 1 calc R
C28 C 1.2648(6) 2.1521(6) 1.3060(4) 0.0677(15) Uani 1 1 d .
C29 C 1.1580(6) 2.1079(5) 1.3338(4) 0.0653(14) Uani 1 1 d .
H29A H 1.0746 2.0645 1.2961 0.078 Uiso 1 1 calc R
C30 C 1.1743(6) 2.1278(6) 1.4180(4) 0.0678(14) Uani 1 1 d .
H30A H 1.1003 2.0944 1.4350 0.081 Uiso 1 1 calc R
C31 C 1.2198(19) 0.7364(14) 1.2467(14) 0.307(13) Uiso 1 1 d D
H31A H 1.2630 0.6858 1.2235 0.368 Uiso 1 1 calc R
H31B H 1.1760 0.7055 1.2849 0.368 Uiso 1 1 calc R
Cl1 Cl 1.3272(10) 0.8891(9) 1.2919(6) 0.336(5) Uani 1 1 d D
Cl2 Cl 1.1146(15) 0.7579(11) 1.1699(8) 0.597(13) Uani 1 1 d 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'
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'
Cl Cl 0.1484 0.1585 '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'
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
N3 Cd1 N1 93.37(17) 1_544 .
N3 Cd1 N5 166.64(18) 1_544 1_445
N1 Cd1 N5 99.89(17) . 1_445
N3 Cd1 O4 95.62(18) 1_544 .
N1 Cd1 O4 81.24(15) . .
N5 Cd1 O4 87.97(19) 1_445 .
N3 Cd1 O1 90.93(18) 1_544 .
N1 Cd1 O1 88.97(16) . .
N5 Cd1 O1 87.79(19) 1_445 .
O4 Cd1 O1 168.50(16) . .
N3 Cd1 O2 84.36(18) 1_544 .
N1 Cd1 O2 142.29(18) . .
N5 Cd1 O2 84.19(18) 1_445 .
O4 Cd1 O2 136.47(17) . .
O1 Cd1 O2 53.54(18) . .
N3 Cd1 O5 85.09(17) 1_544 .
N1 Cd1 O5 131.19(16) . .
N5 Cd1 O5 87.30(19) 1_445 .
O4 Cd1 O5 50.60(15) . .
O1 Cd1 O5 139.77(17) . .
O2 Cd1 O5 86.24(18) . .
N6 Cd2 N4 173.29(17) . .
N6 Cd2 N2 92.28(16) . .
N4 Cd2 N2 92.90(15) . .
N6 Cd2 O10 88.37(17) . .
N4 Cd2 O10 86.78(17) . .
N2 Cd2 O10 97.00(19) . .
N6 Cd2 O7 97.08(18) . .
N4 Cd2 O7 88.21(18) . .
N2 Cd2 O7 77.33(15) . .
O10 Cd2 O7 172.24(18) . .
N6 Cd2 O11 87.90(18) . .
N4 Cd2 O11 85.48(18) . .
N2 Cd2 O11 149.90(19) . .
O10 Cd2 O11 52.9(2) . .
O7 Cd2 O11 132.53(18) . .
N6 Cd2 O8 89.35(16) . .
N4 Cd2 O8 90.69(17) . .
N2 Cd2 O8 129.05(16) . .
O10 Cd2 O8 133.9(2) . .
O7 Cd2 O8 52.00(15) . .
O11 Cd2 O8 81.04(19) . .
C3 S1 C8 104.8(2) . .
C18 S2 C13 104.3(3) . .
C28 S3 C23 103.7(3) . .
N7 O1 Cd1 94.1(4) . .
N7 O2 Cd1 93.3(4) . .
N8 O4 Cd1 100.7(4) . .
N8 O5 Cd1 91.0(3) . .
N9 O7 Cd2 95.7(4) . .
N9 O8 Cd2 95.1(3) . .
N10 O10 Cd2 94.7(4) . .
N10 O11 Cd2 95.2(4) . .
C5 N1 C1 116.8(4) . .
C5 N1 Cd1 122.8(3) . .
C1 N1 Cd1 120.3(3) . .
C10 N2 C6 116.5(5) . .
C10 N2 Cd2 124.3(3) . .
C6 N2 Cd2 118.3(4) . .
C11 N3 C15 116.3(5) . .
C11 N3 Cd1 122.9(4) . 1_566
C15 N3 Cd1 120.8(4) . 1_566
C20 N4 C16 116.6(5) . .
C20 N4 Cd2 122.0(4) . .
C16 N4 Cd2 121.4(4) . .
C25 N5 C21 117.1(6) . .
C25 N5 Cd1 121.2(5) . 1_665
C21 N5 Cd1 121.6(5) . 1_665
C30 N6 C26 116.3(5) . .
C30 N6 Cd2 123.4(4) . .
C26 N6 Cd2 120.2(4) . .
O3 N7 O2 121.4(7) . .
O3 N7 O1 120.0(7) . .
O2 N7 O1 118.6(5) . .
O6 N8 O5 124.3(6) . .
O6 N8 O4 118.0(6) . .
O5 N8 O4 117.7(6) . .
O9 N9 O7 120.6(6) . .
O9 N9 O8 122.1(5) . .
O7 N9 O8 117.2(5) . .
O12 N10 O11 120.9(9) . .
O12 N10 O10 121.9(9) . .
O11 N10 O10 117.2(6) . .
N1 C1 C2 123.7(5) . .
C3 C2 C1 119.5(5) . .
C2 C3 C4 118.2(5) . .
C2 C3 S1 117.3(4) . .
C4 C3 S1 124.5(4) . .
C3 C4 C5 118.7(5) . .
N1 C5 C4 123.1(5) . .
N2 C6 C7 123.7(5) . .
C6 C7 C8 119.3(5) . .
C7 C8 C9 118.6(5) . .
C7 C8 S1 117.6(4) . .
C9 C8 S1 123.7(4) . .
C8 C9 C10 118.6(5) . .
N2 C10 C9 123.3(5) . .
N3 C11 C12 123.3(6) . .
C13 C12 C11 120.1(6) . .
C12 C13 C14 117.2(6) . .
C12 C13 S2 119.7(5) . .
C14 C13 S2 122.9(5) . .
C15 C14 C13 120.2(6) . .
N3 C15 C14 122.8(6) . .
N4 C16 C17 123.7(5) . .
C18 C17 C16 118.6(5) . .
C17 C18 C19 118.0(5) . .
C17 C18 S2 123.5(5) . .
C19 C18 S2 118.4(4) . .
C20 C19 C18 119.4(5) . .
N4 C20 C19 123.7(6) . .
N5 C21 C22 122.0(8) . .
C23 C22 C21 120.0(7) . .
C24 C23 C22 117.0(7) . .
C24 C23 S3 123.4(6) . .
C22 C23 S3 119.5(6) . .
C25 C24 C23 119.6(7) . .
N5 C25 C24 124.1(7) . .
N6 C26 C27 124.0(6) . .
C26 C27 C28 119.2(6) . .
C29 C28 C27 116.5(6) . .
C29 C28 S3 118.5(5) . .
C27 C28 S3 125.0(5) . .
C28 C29 C30 119.8(6) . .
N6 C30 C29 124.2(6) . .
Cl2 C31 Cl1 95.2(9) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cd1 N3 2.317(5) 1_544
Cd1 N1 2.345(4) .
Cd1 N5 2.346(6) 1_445
Cd1 O4 2.382(5) .
Cd1 O1 2.396(5) .
Cd1 O2 2.417(4) .
Cd1 O5 2.586(5) .
Cd2 N6 2.304(4) .
Cd2 N4 2.316(4) .
Cd2 N2 2.375(4) .
Cd2 O10 2.415(5) .
Cd2 O7 2.421(5) .
Cd2 O11 2.423(5) .
Cd2 O8 2.429(4) .
S1 C3 1.754(5) .
S1 C8 1.776(5) .
S2 C18 1.766(5) .
S2 C13 1.784(6) .
S3 C28 1.762(6) .
S3 C23 1.773(7) .
O1 N7 1.264(8) .
O2 N7 1.257(8) .
O3 N7 1.225(7) .
O4 N8 1.249(6) .
O5 N8 1.241(7) .
O6 N8 1.210(8) .
O7 N9 1.242(6) .
O8 N9 1.249(7) .
O9 N9 1.227(7) .
O10 N10 1.279(9) .
O11 N10 1.247(9) .
O12 N10 1.226(8) .
N1 C5 1.328(7) .
N1 C1 1.341(7) .
N2 C10 1.334(7) .
N2 C6 1.343(7) .
N3 C11 1.336(8) .
N3 C15 1.341(8) .
N3 Cd1 2.317(5) 1_566
N4 C20 1.315(7) .
N4 C16 1.346(7) .
N5 C25 1.330(8) .
N5 C21 1.338(9) .
N5 Cd1 2.346(5) 1_665
N6 C30 1.312(8) .
N6 C26 1.325(8) .
C1 C2 1.370(8) .
C2 C3 1.364(7) .
C3 C4 1.386(7) .
C4 C5 1.396(8) .
C6 C7 1.361(8) .
C7 C8 1.367(8) .
C8 C9 1.377(8) .
C9 C10 1.381(8) .
C11 C12 1.368(10) .
C12 C13 1.357(9) .
C13 C14 1.374(9) .
C14 C15 1.363(9) .
C16 C17 1.372(8) .
C17 C18 1.368(8) .
C18 C19 1.383(8) .
C19 C20 1.366(8) .
C21 C22 1.396(11) .
C22 C23 1.388(11) .
C23 C24 1.374(11) .
C24 C25 1.371(9) .
C26 C27 1.374(10) .
C27 C28 1.397(10) .
C28 C29 1.366(8) .
C29 C30 1.380(8) .
C31 Cl2 1.750(10) .
C31 Cl1 1.763(10) .
