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#$Date: 2016-03-22 11:23:37 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178897 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/26/4112649.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_4112649
loop_
_publ_author_name
'John F. Berry'
'F. Albert Cotton'
'Tongbu Lu'
'Carlos A. Murillo'
'Brian K. Roberts'
'Xiaoping Wang'
_publ_contact_author_address
;  Laboratory for Molecular Structure and Bonding
   Dept. of Chemistry
   Texas A&M University, PO Box  30012
   College Station, TX 77842-3012, USA
;
_publ_contact_author_email       cotton@tamu.edu
_publ_contact_author_fax         '(979) 845 9351'
_publ_contact_author_name        'F. A. Cotton'
_publ_contact_author_phone       '(979) 845 4432'
_publ_section_title
;
 Molecular and Electronic Structures by Design: Tuning Symmetrical and
 Unsymmetrical Linear Trichromium Chains
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              7082
_journal_page_last               7096
_journal_paper_doi               10.1021/ja049055h
_journal_volume                  126
_journal_year                    2004
_chemical_formula_moiety         'Cr3(C10H8N3)4(NCS)2, (C7H8)2'
_chemical_formula_sum            'C56 H48 Cr3 N14 S2'
_chemical_formula_weight         1137.20
_chemical_name_common            'Cr3(dpa)4(NCS)2, (toluene)2'
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           43
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   14.2850(10)
_cell_length_b                   24.3558(17)
_cell_length_c                   31.508(2)
_cell_measurement_reflns_used    5037
_cell_measurement_temperature    213(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.25
_cell_volume                     10962.3(13)
_computing_cell_refinement       SAINT
_computing_data_collection       SMART
_computing_data_reduction        SAINT
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      213(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART 1000'
_diffrn_measurement_method       ω-scan
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0215
_diffrn_reflns_av_sigmaI/netI    0.0284
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            16580
_diffrn_reflns_theta_full        27.52
_diffrn_reflns_theta_max         27.52
_diffrn_reflns_theta_min         1.77
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.712
_exptl_absorpt_correction_T_max  0.8708
_exptl_absorpt_correction_T_min  0.5998
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            'dark green'
_exptl_crystal_density_diffrn    1.378
_exptl_crystal_description       needle
_exptl_crystal_F_000             4688
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.512
_refine_diff_density_min         -0.255
_refine_diff_density_rms         0.048
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.012(19)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     338
_refine_ls_number_reflns         5738
_refine_ls_number_restraints     127
_refine_ls_restrained_S_all      1.260
_refine_ls_R_factor_all          0.0387
_refine_ls_R_factor_gt           0.0332
_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)+(0.0477P)²+6.7557P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0824
_refine_ls_wR_factor_ref         0.0864
_reflns_number_gt                5219
_reflns_number_total             5738
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            ja049055hsi20040409_043050_15.cif
_cod_data_source_block           10twotoluene
_cod_database_code               4112649
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'x+1/4, -y+1/4, z+1/4'
'-x+1/4, y+1/4, z+1/4'
'x, y+1/2, z+1/2'
'-x, -y+1/2, z+1/2'
'x+1/4, -y+3/4, z+3/4'
'-x+1/4, y+3/4, z+3/4'
'x+1/2, y, z+1/2'
'-x+1/2, -y, z+1/2'
'x+3/4, -y+1/4, z+3/4'
'-x+3/4, y+1/4, z+3/4'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, z'
'x+3/4, -y+3/4, z+1/4'
'-x+3/4, y+3/4, z+1/4'
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
Cr1 Cr -0.15174(3) 0.036071(16) 0.151335(13) 0.03154(11) Uani 1 1 d . . .
Cr2 Cr -0.00805(10) 0.00202(6) 0.149452(19) 0.02441(17) Uiso 0.50 1 d P . .
N1 N -0.19101(17) -0.04154(10) 0.17591(8) 0.0348(5) Uani 1 1 d . . .
N2 N -0.03747(17) -0.05421(10) 0.19468(7) 0.0307(5) Uani 1 1 d . . .
N3 N 0.11748(17) -0.06136(9) 0.21352(8) 0.0340(5) Uani 1 1 d . . .
N4 N -0.16426(17) 0.00246(9) 0.09008(8) 0.0328(5) Uani 1 1 d . . .
N5 N -0.03897(16) -0.05424(10) 0.10445(8) 0.0311(5) Uani 1 1 d . . .
N6 N 0.08670(17) -0.10710(9) 0.12503(8) 0.0334(5) Uani 1 1 d . . .
N7 N -0.29353(18) 0.07154(11) 0.15363(10) 0.0472(6) Uani 1 1 d . . .
C7 C -0.3544(2) 0.10252(11) 0.15517(10) 0.0360(6) Uani 1 1 d . . .
C11 C -0.1260(2) -0.07465(11) 0.19402(9) 0.0349(6) Uani 1 1 d . . .
C12 C -0.1506(2) -0.12866(13) 0.20661(11) 0.0440(7) Uani 1 1 d . . .
H12A H -0.1059 -0.1517 0.2194 0.053 Uiso 1 1 calc R . .
C13 C -0.2393(3) -0.14675(15) 0.20004(13) 0.0574(10) Uani 1 1 d . . .
H13A H -0.2556 -0.1829 0.2075 0.069 Uiso 1 1 calc R . .
C14 C -0.3057(3) -0.11250(17) 0.18247(15) 0.0622(10) Uani 1 1 d . . .
H14A H -0.3678 -0.1244 0.1788 0.075 Uiso 1 1 calc R . .
C15 C -0.2789(2) -0.06077(15) 0.17055(13) 0.0502(8) Uani 1 1 d . . .
H15A H -0.3238 -0.0376 0.1581 0.060 Uiso 1 1 calc R . .
C31 C 0.0269(2) -0.06721(11) 0.22550(9) 0.0330(6) Uani 1 1 d . . .
C32 C 0.0037(3) -0.08042(13) 0.26785(10) 0.0429(7) Uani 1 1 d . . .
H32A H -0.0590 -0.0860 0.2758 0.051 Uiso 1 1 calc R . .
C33 C 0.0743(3) -0.08494(14) 0.29712(10) 0.0488(8) Uani 1 1 d . . .
H33A H 0.0596 -0.0931 0.3255 0.059 Uiso 1 1 calc R . .
C34 C 0.1662(3) -0.07767(15) 0.28546(11) 0.0508(8) Uani 1 1 d . . .
H34A H 0.2146 -0.0805 0.3055 0.061 Uiso 1 1 calc R . .
C35 C 0.1853(2) -0.06617(13) 0.24362(11) 0.0443(7) Uani 1 1 d . . .
H35A H 0.2480 -0.0614 0.2354 0.053 Uiso 1 1 calc R . .
C41 C -0.1082(2) -0.03933(11) 0.07640(9) 0.0344(6) Uani 1 1 d . . .
C42 C -0.1209(3) -0.06097(16) 0.03564(11) 0.0527(9) Uani 1 1 d . . .
H42A H -0.0833 -0.0903 0.0263 0.063 Uiso 1 1 calc R . .
C43 C -0.1878(3) -0.03948(17) 0.00947(12) 0.0605(10) Uani 1 1 d . . .
H43A H -0.1964 -0.0542 -0.0178 0.073 Uiso 1 1 calc R . .
C44 C -0.2429(3) 0.00371(17) 0.02290(12) 0.0539(9) Uani 1 1 d . . .
H44A H -0.2884 0.0192 0.0050 0.065 Uiso 1 1 calc R . .
C45 C -0.2291(2) 0.02320(13) 0.06305(10) 0.0409(7) Uani 1 1 d . . .
H45A H -0.2666 0.0525 0.0725 0.049 Uiso 1 1 calc R . .
C61 C 0.0020(2) -0.10497(11) 0.10516(9) 0.0345(6) Uani 1 1 d . . .
C62 C -0.0396(3) -0.15378(13) 0.09007(13) 0.0518(9) Uani 1 1 d . . .
H62A H -0.0980 -0.1525 0.0764 0.062 Uiso 1 1 calc R . .
C63 C 0.0055(3) -0.20311(14) 0.09544(17) 0.0699(12) Uani 1 1 d . . .
H63A H -0.0222 -0.2357 0.0855 0.084 Uiso 1 1 calc R . .
C64 C 0.0921(3) -0.20491(14) 0.11563(17) 0.0646(11) Uani 1 1 d . . .
H64A H 0.1244 -0.2382 0.1192 0.077 Uiso 1 1 calc R . .
C65 C 0.1284(2) -0.15626(12) 0.13014(12) 0.0458(7) Uani 1 1 d . . .
H65A H 0.1859 -0.1573 0.1446 0.055 Uiso 1 1 calc R . .
S7 S -0.43866(7) 0.14772(4) 0.15654(3) 0.0583(3) Uani 1 1 d . . .
C1S C 0.2500 -0.2500 0.35452(13) 0.108(3) Uani 0.475(10) 2 d SPDU A 1
H1S1 H 0.2348 -0.2865 0.3648 0.162 Uiso 0.238(5) 1 calc PR A 1
H1S2 H 0.2038 -0.2240 0.3648 0.162 Uiso 0.238(5) 1 calc PR A 1
H1S3 H 0.3115 -0.2395 0.3648 0.162 Uiso 0.238(5) 1 calc PR A 1
C2S C 0.2500 -0.2500 0.30707(13) 0.064(3) Uani 0.475(10) 2 d SPRDU . 1
C3S C 0.2303 -0.2969 0.28470(13) 0.0844(14) Uani 0.475(10) 1 d PRDU A 1
H3S H 0.2173 -0.3296 0.2994 0.101 Uiso 0.475(10) 1 calc PR A 1
C4S C 0.2294 -0.2969 0.24103(13) 0.115(4) Uani 0.475(10) 1 d PRDU A 1
H4S H 0.2145 -0.3293 0.2263 0.138 Uiso 0.475(10) 1 calc PR A 1
C5S C 0.2500 -0.2500 0.21898(13) 0.119(3) Uani 0.475(10) 2 d SPRDU . 1
H5S H 0.2500 -0.2500 0.1891 0.143 Uiso 0.475(10) 2 calc SPR A 1
C1S' C 0.2500 -0.2500 0.21303(13) 0.119(3) Uani 0.525(10) 2 d SPRD A 2
H1S4 H 0.2230 -0.2840 0.2028 0.179 Uiso 0.262(5) 1 calc PR A 2
H1S5 H 0.3138 -0.2467 0.2028 0.179 Uiso 0.262(5) 1 calc PR A 2
H1S6 H 0.2133 -0.2193 0.2028 0.179 Uiso 0.262(5) 1 calc PR A 2
C2S' C 0.2500 -0.2500 0.26055(13) 0.068(3) Uani 0.525(10) 2 d SPRD . 2
C3S' C 0.2152 -0.2938 0.28276(13) 0.0844(14) Uani 0.525(10) 1 d PRD A 2
H3S' H 0.1895 -0.3238 0.2680 0.101 Uiso 0.525(10) 1 calc PR A 2
C4S' C 0.2173 -0.2946 0.32665(13) 0.102(4) Uani 0.525(10) 1 d PRD A 2
H4S' H 0.1962 -0.3257 0.3414 0.123 Uiso 0.525(10) 1 calc PR A 2
C5S' C 0.2500 -0.2500 0.34864(13) 0.108(3) Uani 0.525(10) 2 d SPRD . 2
H5S' H 0.2500 -0.2500 0.3785 0.129 Uiso 0.525(10) 2 calc SPR A 2
C8S C 0.4396 -0.0766 0.31604(13) 0.231(10) Uani 0.50 1 d PRDU A 2
H8S1 H 0.4217 -0.1036 0.2949 0.346 Uiso 0.50 1 calc PR A 2
H8S2 H 0.3845 -0.0649 0.3316 0.346 Uiso 0.50 1 calc PR A 2
H8S3 H 0.4843 -0.0928 0.3355 0.346 Uiso 0.50 1 calc PR A 2
C9S C 0.5000 0.0000 0.23247(13) 0.264(10) Uani 1 2 d SRDU . 2
H9S H 0.5000 0.0000 0.2026 0.317 Uiso 1 2 calc SR A 2
C10S C 0.4717 -0.0431 0.25702(13) 0.195(5) Uani 1 1 d RDU A 2
H10S H 0.4520 -0.0752 0.2431 0.234 Uiso 1 1 calc R A 2
C11S C 0.4700 -0.0427 0.30102(13) 0.167(4) Uani 1 1 d RDU A 2
C12S C 0.5000 0.0000 0.32591(13) 0.129(3) Uani 1 2 d SRDU . 2
H12S H 0.5000 0.0000 0.3557 0.155 Uiso 1 2 calc SR A 2
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'
Cr Cr 0.3209 0.6236 '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
N4 Cr1 N3 169.87(9) . 2
N4 Cr1 N1 88.02(9) . .
N3 Cr1 N1 89.00(10) 2 .
N4 Cr1 N6 89.78(9) . 2
N3 Cr1 N6 91.32(9) 2 2
N1 Cr1 N6 169.06(9) . 2
N4 Cr1 N7 96.00(11) . .
N3 Cr1 N7 93.92(11) 2 .
N1 Cr1 N7 95.42(10) . .
N6 Cr1 N7 95.47(10) 2 .
N4 Cr1 Cr2 84.75(7) . .
N3 Cr1 Cr2 85.37(7) 2 .
N1 Cr1 Cr2 85.47(8) . .
N6 Cr1 Cr2 83.66(8) 2 .
N7 Cr1 Cr2 178.85(9) . .
N4 Cr1 Cr2 84.84(7) . 2
N3 Cr1 Cr2 85.26(7) 2 2
N1 Cr1 Cr2 85.31(8) . 2
N6 Cr1 Cr2 83.82(7) 2 2
N7 Cr1 Cr2 178.90(9) . 2
Cr2 Cr2 N2 87.2(5) 2 2
Cr2 Cr2 N5 86.6(5) 2 2
N2 Cr2 N5 89.54(11) 2 2
Cr2 Cr2 N2 85.7(5) 2 .
N2 Cr2 N2 89.76(14) 2 .
N5 Cr2 N2 172.34(13) 2 .
Cr2 Cr2 N5 86.3(5) 2 .
N2 Cr2 N5 173.44(13) 2 .
N5 Cr2 N5 90.40(14) 2 .
N2 Cr2 N5 89.43(11) . .
Cr2 Cr2 Cr1 178.1(6) 2 .
N2 Cr2 Cr1 92.52(8) 2 .
N5 Cr2 Cr1 95.24(8) 2 .
N2 Cr2 Cr1 92.42(9) . .
N5 Cr2 Cr1 94.02(8) . .
N2 Cr2 Cr1 85.50(8) 2 2
N5 Cr2 Cr1 86.90(8) 2 2
N2 Cr2 Cr1 85.44(8) . 2
N5 Cr2 Cr1 87.94(8) . 2
Cr1 Cr2 Cr1 177.09(4) . 2
C15 N1 C11 118.9(3) . .
C15 N1 Cr1 120.7(2) . .
C11 N1 Cr1 120.2(2) . .
C11 N2 C31 123.3(2) . .
C11 N2 Cr2 121.32(19) . 2
C31 N2 Cr2 115.36(19) . 2
C11 N2 Cr2 115.52(19) . .
C31 N2 Cr2 121.01(19) . .
C31 N3 C35 118.4(3) . .
C31 N3 Cr1 120.70(19) . 2
C35 N3 Cr1 120.5(2) . 2
C45 N4 C41 118.7(3) . .
C45 N4 Cr1 119.3(2) . .
C41 N4 Cr1 122.00(19) . .
C61 N5 C41 123.9(2) . .
C61 N5 Cr2 114.51(19) . 2
C41 N5 Cr2 121.61(19) . 2
C61 N5 Cr2 120.5(2) . .
C41 N5 Cr2 115.41(18) . .
C65 N6 C61 118.8(3) . .
C65 N6 Cr1 118.8(2) . 2
C61 N6 Cr1 122.31(18) . 2
C7 N7 Cr1 162.1(2) . .
N7 C7 S7 178.3(3) . .
N1 C11 N2 115.2(2) . .
N1 C11 C12 120.0(3) . .
N2 C11 C12 124.5(3) . .
C13 C12 C11 119.3(3) . .
C12 C13 C14 120.4(3) . .
C15 C14 C13 118.4(4) . .
N1 C15 C14 123.0(4) . .
N3 C31 N2 114.7(3) . .
N3 C31 C32 120.8(3) . .
N2 C31 C32 124.2(3) . .
C33 C32 C31 118.8(3) . .
C32 C33 C34 120.8(3) . .
C35 C34 C33 118.2(3) . .
N3 C35 C34 123.0(3) . .
N4 C41 N5 114.6(2) . .
N4 C41 C42 119.6(3) . .
N5 C41 C42 125.7(3) . .
C43 C42 C41 120.0(3) . .
C42 C43 C44 120.4(3) . .
C45 C44 C43 117.9(3) . .
N4 C45 C44 123.4(3) . .
N6 C61 N5 115.0(2) . .
N6 C61 C62 119.8(3) . .
N5 C61 C62 125.1(3) . .
C63 C62 C61 119.8(3) . .
C62 C63 C64 120.0(3) . .
C65 C64 C63 117.5(3) . .
N6 C65 C64 124.1(3) . .
C3S C2S C3S 118.2 . 14_545
C3S C2S C1S 120.9 . .
C3S C2S C1S 120.9 14_545 .
C2S C3S C4S 121.0 . .
C5S C4S C3S 120.3 . .
C4S C5S C4S 119.0 14_545 .
C3S' C2S' C3S' 118.5 14_545 .
C3S' C2S' C1S' 120.7 14_545 .
C3S' C2S' C1S' 120.7 . .
C2S' C3S' C4S' 120.9 . .
C5S' C4S' C3S' 120.2 . .
C4S' C5S' C4S' 119.2 . 14_545
C10S C9S C10S 111.0 2_655 .
C9S C10S C11S 124.5 . .
C8S C11S C12S 118.0 . .
C8S C11S C10S 117.0 . .
C12S C11S C10S 124.8 . .
C11S C12S C11S 110.3 . 2_655
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cr1 N4 2.104(2) .
Cr1 N3 2.111(2) 2
Cr1 N1 2.118(2) .
Cr1 N6 2.131(2) 2
Cr1 N7 2.203(3) .
Cr1 Cr2 2.2146(14) .
Cr1 Cr2 2.4648(14) 2
Cr2 N2 2.017(3) 2
Cr2 N5 2.020(3) 2
Cr2 N2 2.021(3) .
Cr2 N5 2.021(3) .
Cr2 Cr1 2.4647(14) 2
N1 C15 1.351(4) .
N1 C11 1.356(4) .
N2 C11 1.359(4) .
N2 C31 1.375(4) .
N2 Cr2 2.018(3) 2
N3 C31 1.355(4) .
N3 C35 1.361(4) .
N3 Cr1 2.111(2) 2
N4 C45 1.356(4) .
N4 C41 1.365(4) .
N5 C61 1.368(4) .
N5 C41 1.375(4) .
N5 Cr2 2.020(3) 2
N6 C65 1.347(4) .
N6 C61 1.363(4) .
N6 Cr1 2.131(2) 2
N7 C7 1.152(4) .
C7 S7 1.632(3) .
C11 C12 1.418(4) .
C12 C13 1.358(5) .
C13 C14 1.379(6) .
C14 C15 1.369(5) .
C31 C32 1.412(4) .
C32 C33 1.371(5) .
C33 C34 1.375(6) .
C34 C35 1.375(5) .
C41 C42 1.400(4) .
C42 C43 1.367(5) .
C43 C44 1.380(6) .
C44 C45 1.366(5) .
C61 C62 1.412(4) .
C62 C63 1.374(5) .
C63 C64 1.391(6) .
C64 C65 1.372(5) .
C1S C2S 1.4950 .
C2S C3S 1.3723 .
C2S C3S 1.3723 14_545
C3S C4S 1.3759 .
C4S C5S 1.3696 .
C5S C4S 1.3696 14_545
C1S' C2S' 1.4971 .
C2S' C3S' 1.3696 14_545
C2S' C3S' 1.3696 .
C3S' C4S' 1.3833 .
C4S' C5S' 1.3696 .
C5S' C4S' 1.3696 14_545
C8S C11S 1.0467 .
C9S C10S 1.3652 2_655
C9S C10S 1.3652 .
C10S C11S 1.3865 .
C11S C12S 1.3717 .
C12S C11S 1.3717 2_655
