#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:35:12 +0100 (vie 25 de mar de 2016) $
#$Revision: 179797 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/93/7009365.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_7009365
loop_
_publ_author_name
'Danopoulos, Andreas A.'
'Hankin, Danielle M.'
'Cafferkey, Sean M.'
'Hursthouse, Michael B.'
_publ_section_title
;
 η2-Sulfenamido complexes of uranium †
;
_journal_issue                   10
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              1613
_journal_paper_doi               10.1039/b000304m
_journal_year                    2000
_chemical_formula_sum            'C40 H56 N4 S4 U'
_chemical_formula_weight         959.16
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.287(4)
_cell_length_b                   18.278(35)
_cell_length_c                   20.606(15)
_cell_measurement_temperature    293(2)
_cell_volume                     4251(9)
_computing_structure_refinement  'SHELXL-92 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.1704
_diffrn_reflns_av_sigmaI/netI    0.8348
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            12265
_diffrn_reflns_theta_max         25.23
_diffrn_reflns_theta_min         1.98
_exptl_absorpt_coefficient_mu    3.887
_exptl_crystal_density_diffrn    1.499
_exptl_crystal_F_000             1920
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.067
_refine_diff_density_min         -0.666
_refine_diff_density_rms         0.110
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.01(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   0.369
_refine_ls_goodness_of_fit_obs   0.682
_refine_ls_matrix_type           full
_refine_ls_number_parameters     406
_refine_ls_number_reflns         6162
_refine_ls_number_restraints     114
_refine_ls_restrained_S_all      0.384
_refine_ls_restrained_S_obs      0.713
_refine_ls_R_factor_all          0.1827
_refine_ls_R_factor_obs          0.0497
_refine_ls_shift/esd_max         1.627
_refine_ls_shift/esd_mean        0.163
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1343
_refine_ls_wR_factor_obs         0.0804
_reflns_number_observed          968
_reflns_number_total             6162
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            b000304m.txt
_cod_data_source_block           s92
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        4251.1(88)
_cod_original_sg_symbol_H-M      P2(1)2(1)2(1)
_cod_database_code               7009365
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
U1 U 0.87200(10) 0.07311(7) 0.84998(6) 0.0421(3) Uani 1 d . .
S1 S 0.8533(7) 0.1326(5) 0.7216(3) 0.049(2) Uani 1 d . .
S2 S 0.8454(7) -0.0191(5) 0.9599(4) 0.051(2) Uani 1 d . .
S3 S 0.6976(6) 0.1817(5) 0.8846(4) 0.045(2) Uani 1 d . .
S4 S 1.0984(6) 0.0028(4) 0.8371(4) 0.047(2) Uani 1 d . .
N1 N 0.8449(17) 0.0434(13) 0.7425(9) 0.043(7) Uani 1 d . .
N2 N 0.7414(20) -0.0062(16) 0.8992(13) 0.051(6) Uani 1 d U .
N3 N 0.8385(16) 0.1741(12) 0.9128(11) 0.044(7) Uani 1 d . .
N4 N 1.0731(13) 0.0926(12) 0.8444(13) 0.047(7) Uani 1 d . .
C1 C 0.7066(9) 0.1632(8) 0.7008(8) 0.042(8) Uani 1 d G .
C2 C 0.6058(13) 0.1240(7) 0.7179(7) 0.035(7) Uani 1 d G .
H2 H 0.6129(18) 0.0799(9) 0.7400(10) 0.043 Uiso 1 calc R .
C3 C 0.4943(10) 0.1509(8) 0.7020(8) 0.029(7) Uani 1 d GU .
H3 H 0.4268(13) 0.1247(11) 0.7134(12) 0.034 Uiso 1 calc R .
C4 C 0.4837(9) 0.2169(9) 0.6690(8) 0.055(9) Uani 1 d G .
H4 H 0.4091(10) 0.2349(12) 0.6583(12) 0.066 Uiso 1 calc R .
C5 C 0.5845(12) 0.2561(7) 0.6519(8) 0.045(6) Uani 1 d GU .
H5 H 0.5774(17) 0.3002(9) 0.6299(12) 0.054 Uiso 1 calc R .
C6 C 0.6960(10) 0.2292(8) 0.6679(9) 0.047(10) Uani 1 d G .
H6 H 0.7635(12) 0.2554(11) 0.6564(13) 0.056 Uiso 1 calc R .
C7 C 0.9032(14) -0.1106(7) 0.9510(9) 0.034(7) Uani 1 d GU .
C8 C 0.8922(14) -0.1468(10) 0.8920(7) 0.064(9) Uani 1 d G .
H8 H 0.8534(20) -0.1243(14) 0.8575(9) 0.077 Uiso 1 calc R .
C9 C 0.9391(15) -0.2166(10) 0.8845(7) 0.087(12) Uani 1 d GU .
H9 H 0.9317(23) -0.2408(14) 0.8450(9) 0.104 Uiso 1 calc R .
C10 C 0.9971(15) -0.2502(8) 0.9360(10) 0.073(9) Uani 1 d GU .
H10 H 1.0285(21) -0.2969(9) 0.9310(15) 0.087 Uiso 1 calc R .
C11 C 1.0081(14) -0.2140(11) 0.9951(8) 0.065(11) Uani 1 d G .
H11 H 1.0469(20) -0.2364(15) 1.0295(11) 0.078 Uiso 1 calc R .
C12 C 0.9611(14) -0.1442(11) 1.0025(6) 0.071(12) Uani 1 d G .
H12 H 0.9685(22) -0.1199(15) 1.0420(8) 0.085 Uiso 1 calc R .
C13 C 0.6918(16) 0.2639(8) 0.8389(9) 0.051(8) Uani 1 d GU .
C14 C 0.5810(13) 0.2915(10) 0.8224(9) 0.069(11) Uani 1 d G .
H14 H 0.5128(16) 0.2662(13) 0.8340(13) 0.083 Uiso 1 calc R .
C15 C 0.5723(11) 0.3571(10) 0.7885(8) 0.066(9) Uani 1 d GU .
H15 H 0.4982(12) 0.3756(14) 0.7775(12) 0.079 Uiso 1 calc R .
C16 C 0.6742(15) 0.3950(8) 0.7711(8) 0.048(8) Uani 1 d GU .
H16 H 0.6683(22) 0.4388(10) 0.7485(12) 0.058 Uiso 1 calc R .
C17 C 0.7849(11) 0.3673(10) 0.7876(9) 0.070(12) Uani 1 d G .
H17 H 0.8531(14) 0.3927(14) 0.7759(13) 0.084 Uiso 1 calc R .
C18 C 0.7937(12) 0.3018(10) 0.8215(9) 0.056(9) Uani 1 d G .
H18 H 0.8678(14) 0.2833(15) 0.8325(13) 0.067 Uiso 1 calc R .
C19 C 1.1693(12) -0.0222(9) 0.9105(7) 0.028(7) Uani 1 d G .
C20 C 1.1726(12) 0.0202(7) 0.9664(9) 0.028(7) Uani 1 d GU .
H20 H 1.1419(18) 0.0674(8) 0.9660(13) 0.033 Uiso 1 calc R .
C21 C 1.2218(13) -0.0079(11) 1.0230(7) 0.070(11) Uani 1 d G .
H21 H 1.2240(20) 0.0205(15) 1.0604(8) 0.084 Uiso 1 calc R .
C22 C 1.2677(13) -0.0784(12) 1.0236(7) 0.117(15) Uani 1 d G .
H22 H 1.3006(19) -0.0972(16) 1.0615(9) 0.140 Uiso 1 calc R .
C23 C 1.2644(13) -0.1209(8) 0.9677(10) 0.057(9) Uani 1 d GU .
H23 H 1.2951(19) -0.1681(8) 0.9681(14) 0.068 Uiso 1 calc R .
C24 C 1.2152(13) -0.0928(8) 0.9111(7) 0.040(8) Uani 1 d G .
H24 H 1.2130(20) -0.1212(11) 0.8737(9) 0.048 Uiso 1 calc R .
C25 C 0.8583(26) -0.0155(16) 0.6906(14) 0.054(8) Uani 1 d U .
C26 C 0.7616(22) -0.0092(20) 0.6482(20) 0.104(15) Uani 1 d . .
H26A H 0.6892(22) -0.0137(142) 0.6724(27) 0.157 Uiso 1 calc R .
H26B H 0.7655(121) -0.0472(79) 0.6162(75) 0.157 Uiso 1 calc R .
H26C H 0.7639(123) 0.0376(52) 0.6272(92) 0.157 Uiso 1 calc R .
C27 C 0.9758(18) -0.0031(15) 0.6565(17) 0.070(9) Uani 1 d U .
H27A H 0.9778(80) -0.0309(93) 0.6170(57) 0.106 Uiso 1 calc R .
H27B H 1.0394(21) -0.0185(114) 0.6842(46) 0.106 Uiso 1 calc R .
H27C H 0.9847(87) 0.0479(22) 0.6466(94) 0.106 Uiso 1 calc R .
C28 C 0.8487(19) -0.0916(14) 0.7245(11) 0.041(8) Uani 1 d . .
H28A H 0.7718(50) -0.0966(34) 0.7439(60) 0.061 Uiso 1 calc R .
H28B H 0.9085(85) -0.0955(33) 0.7575(47) 0.061 Uiso 1 calc R .
H28C H 0.8600(122) -0.1297(14) 0.6930(16) 0.061 Uiso 1 calc R .
C29 C 0.6172(26) -0.0287(15) 0.9119(12) 0.036(7) Uani 1 d U .
C30 C 0.6079(18) -0.1044(12) 0.9360(10) 0.020(6) Uani 1 d U .
H30A H 0.6529(82) -0.1093(19) 0.9753(29) 0.030 Uiso 1 calc R .
H30B H 0.6384(92) -0.1374(13) 0.9038(23) 0.030 Uiso 1 calc R .
H30C H 0.5263(21) -0.1158(24) 0.9444(54) 0.030 Uiso 1 calc R .
C31 C 0.5643(20) 0.0188(17) 0.9671(14) 0.069(10) Uani 1 d U .
H31A H 0.6088(105) 0.0113(77) 1.0062(26) 0.104 Uiso 1 calc R .
H31B H 0.4832(55) 0.0051(70) 0.9742(61) 0.104 Uiso 1 calc R .
H31C H 0.5680(143) 0.0695(19) 0.9550(39) 0.104 Uiso 1 calc R .
C32 C 0.5502(19) -0.0183(17) 0.8532(17) 0.080(12) Uani 1 d . .
H32A H 0.5810(117) -0.0497(77) 0.8199(33) 0.120 Uiso 1 calc R .
H32B H 0.5565(143) 0.0317(27) 0.8395(55) 0.120 Uiso 1 calc R .
H32C H 0.4686(38) -0.0301(110) 0.8610(31) 0.120 Uiso 1 calc R .
C33 C 0.8493(19) 0.2044(14) 0.9765(12) 0.031(7) Uani 1 d U .
C34 C 0.7559(21) 0.1915(18) 1.0351(14) 0.060(9) Uani 1 d U .
H34A H 0.6778(34) 0.2047(98) 1.0208(33) 0.090 Uiso 1 calc R .
H34B H 0.7778(99) 0.2211(76) 1.0716(36) 0.090 Uiso 1 calc R .
H34C H 0.7567(118) 0.1408(26) 1.0475(60) 0.090 Uiso 1 calc R .
C35 C 0.8868(28) 0.2908(18) 0.9685(16) 0.100(11) Uani 1 d U .
H35A H 0.8739(193) 0.3159(33) 1.0088(34) 0.151 Uiso 1 calc R .
H35B H 0.8394(146) 0.3129(37) 0.9351(77) 0.151 Uiso 1 calc R .
H35C H 0.9689(59) 0.2940(18) 0.9568(113) 0.151 Uiso 1 calc R .
C36 C 0.9728(24) 0.1791(18) 1.0053(14) 0.068(11) Uani 1 d . .
H36A H 0.9608(33) 0.1384(75) 1.0341(81) 0.102 Uiso 1 calc R .
H36B H 1.0082(89) 0.2188(39) 1.0288(87) 0.102 Uiso 1 calc R .
H36C H 1.0243(69) 0.1646(112) 0.9705(15) 0.102 Uiso 1 calc R .
C37 C 1.1688(22) 0.1460(19) 0.8165(15) 0.061(12) Uani 1 d . .
C38 C 1.1235(24) 0.2181(12) 0.8189(11) 0.045(7) Uani 1 d . .
H38A H 1.0776(103) 0.2276(29) 0.7806(31) 0.067 Uiso 1 calc R .
H38B H 1.1879(24) 0.2522(13) 0.8213(70) 0.067 Uiso 1 calc R .
H38C H 1.0740(100) 0.2234(25) 0.8566(35) 0.067 Uiso 1 calc R .
C39 C 1.1774(21) 0.1202(18) 0.7405(15) 0.076(13) Uani 1 d . .
H39A H 1.2402(133) 0.1465(85) 0.7194(30) 0.113 Uiso 1 calc R .
H39B H 1.1037(75) 0.1304(109) 0.7190(31) 0.113 Uiso 1 calc R .
H39C H 1.1934(177) 0.0687(28) 0.7385(15) 0.113 Uiso 1 calc R .
C40 C 1.2794(20) 0.1356(15) 0.8459(18) 0.063(9) Uani 1 d . .
H40A H 1.3395(32) 0.1595(91) 0.8207(55) 0.095 Uiso 1 calc R .
H40B H 1.2963(79) 0.0842(15) 0.8485(88) 0.095 Uiso 1 calc R .
H40C H 1.2781(60) 0.1561(98) 0.8888(40) 0.095 Uiso 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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
U U -10.6700 9.6540 '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
N3 U1 N4 93.8(7) . . ?
N3 U1 N1 135.5(8) . . ?
N4 U1 N1 96.9(8) . . ?
N3 U1 N2 98.8(9) . . ?
N4 U1 N2 138.7(9) . . ?
N1 U1 N2 100.9(8) . . ?
N3 U1 S2 90.6(6) . . ?
N4 U1 S2 103.7(7) . . ?
N1 U1 S2 127.8(6) . . ?
N2 U1 S2 37.6(7) . . ?
N3 U1 S1 101.8(6) . . ?
N4 U1 S1 88.2(7) . . ?
N1 U1 S1 36.1(6) . . ?
N2 U1 S1 126.7(7) . . ?
S2 U1 S1 162.4(2) . . ?
N3 U1 S4 124.1(5) . . ?
N4 U1 S4 35.6(6) . . ?
N1 U1 S4 85.6(5) . . ?
N2 U1 S4 109.2(7) . . ?
S2 U1 S4 84.4(2) . . ?
S1 U1 S4 98.6(2) . . ?
N3 U1 S3 36.0(5) . . ?
N4 U1 S3 125.4(6) . . ?
N1 U1 S3 108.0(6) . . ?
N2 U1 S3 83.6(7) . . ?
S2 U1 S3 98.0(2) . . ?
S1 U1 S3 85.2(2) . . ?
S4 U1 S3 159.6(2) . . ?
N1 S1 C1 108.0(10) . . ?
N1 S1 U1 53.3(7) . . ?
C1 S1 U1 113.9(6) . . ?
N2 S2 C7 107.3(12) . . ?
N2 S2 U1 54.2(9) . . ?
C7 S2 U1 115.5(7) . . ?
N3 S3 C13 106.6(10) . . ?
N3 S3 U1 52.3(8) . . ?
C13 S3 U1 118.4(7) . . ?
N4 S4 C19 104.7(11) . . ?
N4 S4 U1 53.2(6) . . ?
C19 S4 U1 116.0(6) . . ?
C25 N1 S1 119.7(17) . . ?
C25 N1 U1 146.0(18) . . ?
S1 N1 U1 90.6(10) . . ?
C29 N2 S2 118.4(20) . . ?
C29 N2 U1 148.9(21) . . ?
S2 N2 U1 88.3(10) . . ?
C33 N3 S3 111.2(16) . . ?
C33 N3 U1 144.9(17) . . ?
S3 N3 U1 91.6(9) . . ?
C37 N4 S4 117.4(17) . . ?
C37 N4 U1 142.7(16) . . ?
S4 N4 U1 91.2(9) . . ?
C2 C1 C6 120.0 . . ?
C2 C1 S1 122.2(9) . . ?
C6 C1 S1 117.7(9) . . ?
C1 C2 C3 120.0 . . ?
C2 C3 C4 120.0 . . ?
C5 C4 C3 120.0 . . ?
C4 C5 C6 120.0 . . ?
C5 C6 C1 120.0 . . ?
C8 C7 C12 120.0 . . ?
C8 C7 S2 119.8(12) . . ?
C12 C7 S2 120.1(12) . . ?
C7 C8 C9 120.0 . . ?
C8 C9 C10 120.0 . . ?
C11 C10 C9 120.0 . . ?
C10 C11 C12 120.0 . . ?
C11 C12 C7 120.0 . . ?
C14 C13 C18 120.0 . . ?
C14 C13 S3 118.1(12) . . ?
C18 C13 S3 121.9(12) . . ?
C13 C14 C15 120.0 . . ?
C16 C15 C14 120.0 . . ?
C17 C16 C15 120.0 . . ?
C18 C17 C16 120.0 . . ?
C17 C18 C13 120.0 . . ?
C20 C19 C24 120.0 . . ?
C20 C19 S4 125.2(11) . . ?
C24 C19 S4 114.6(11) . . ?
C19 C20 C21 120.0 . . ?
C22 C21 C20 120.0 . . ?
C21 C22 C23 120.0 . . ?
C24 C23 C22 120.0 . . ?
C23 C24 C19 120.0 . . ?
C26 C25 C28 107.3(27) . . ?
C26 C25 N1 107.6(25) . . ?
C28 C25 N1 107.9(21) . . ?
C26 C25 C27 112.3(26) . . ?
C28 C25 C27 113.6(23) . . ?
N1 C25 C27 107.9(24) . . ?
C32 C29 C30 111.6(24) . . ?
C32 C29 N2 108.1(25) . . ?
C30 C29 N2 112.7(24) . . ?
C32 C29 C31 109.9(25) . . ?
C30 C29 C31 104.6(23) . . ?
N2 C29 C31 109.8(23) . . ?
N3 C33 C36 107.8(20) . . ?
N3 C33 C34 124.9(21) . . ?
C36 C33 C34 104.6(21) . . ?
N3 C33 C35 107.5(21) . . ?
C36 C33 C35 95.3(20) . . ?
C34 C33 C35 112.6(22) . . ?
C40 C37 C38 115.6(32) . . ?
C40 C37 N4 111.8(23) . . ?
C38 C37 N4 108.5(20) . . ?
C40 C37 C39 108.8(23) . . ?
C38 C37 C39 108.9(23) . . ?
N4 C37 C39 102.4(28) . . ?
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
U1 N3 2.28(2) . ?
U1 N4 2.30(2) . ?
U1 N1 2.30(2) . ?
U1 N2 2.30(3) . ?
U1 S2 2.840(8) . ?
U1 S1 2.867(7) . ?
U1 S4 2.873(7) . ?
U1 S3 2.885(8) . ?
S1 N1 1.69(2) . ?
S1 C1 1.799(13) . ?
S2 N2 1.73(3) . ?
S2 C7 1.80(2) . ?
S3 N3 1.70(2) . ?
S3 C13 1.774(15) . ?
S4 N4 1.67(2) . ?
S4 C19 1.771(14) . ?
N1 C25 1.53(3) . ?
N2 C29 1.48(4) . ?
N3 C33 1.43(3) . ?
N4 C37 1.57(3) . ?
C1 C2 1.39 . ?
C1 C6 1.39 . ?
C2 C3 1.39 . ?
C3 C4 1.39 . ?
C4 C5 1.39 . ?
C5 C6 1.39 . ?
C7 C8 1.39 . ?
C7 C12 1.39 . ?
C8 C9 1.39 . ?
C9 C10 1.39 . ?
C10 C11 1.39 . ?
C11 C12 1.39 . ?
C13 C14 1.39 . ?
C13 C18 1.39 . ?
C14 C15 1.39 . ?
C15 C16 1.39 . ?
C16 C17 1.39 . ?
C17 C18 1.39 . ?
C19 C20 1.39 . ?
C19 C24 1.39 . ?
C20 C21 1.39 . ?
C21 C22 1.39 . ?
C22 C23 1.39 . ?
C23 C24 1.39 . ?
C25 C26 1.40(4) . ?
C25 C28 1.56(4) . ?
C25 C27 1.52(3) . ?
C29 C32 1.44(4) . ?
C29 C30 1.47(3) . ?
C29 C31 1.55(3) . ?
C33 C36 1.58(3) . ?
C33 C34 1.62(3) . ?
C33 C35 1.64(4) . ?
C37 C40 1.40(3) . ?
C37 C38 1.41(4) . ?
C37 C39 1.64(4) . ?
