#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:35:57 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179337 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/34/4323407.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_4323407
loop_
_publ_author_name
'May D. Nyman'
'Mark J. Hampden-Smith'
'Eileen N. Duesler'
_publ_section_title
;
 Synthesis, Characterization, and Reactivity of Group 12 Metal
 Thiocarboxylates, M(SOCR)2Lut2 [M = Cd, Zn; R = CH3, C(CH3)3; Lut =
 3,5-Dimethylpyridine (Lutidine)]
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2218
_journal_page_last               2224
_journal_paper_doi               10.1021/ic960784a
_journal_volume                  36
_journal_year                    1997
_chemical_formula_sum            'C24 H36 N2 O2 S2 Zn'
_chemical_formula_weight         514.04
_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
_cell_angle_alpha                91.94(1)
_cell_angle_beta                 104.14(1)
_cell_angle_gamma                105.50(1)
_cell_formula_units_Z            2
_cell_length_a                   9.855(1)
_cell_length_b                   10.719(1)
_cell_length_c                   14.125(1)
_cell_measurement_reflns_used    62
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      11.92
_cell_measurement_theta_min      4.65
_cell_volume                     1386.4(2)
_computing_cell_refinement       'XSCANS (Siemens, 1993)'
_computing_data_collection       'XSCANS (Siemens, 1993)'
_computing_data_reduction        'XSCANS (Siemens, 1993)'
_computing_molecular_graphics    'Shelxtl-PC (Siemens,1990)'
_computing_publication_material  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'Shelxtl-PC (Siemens,1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measurement_device       'Siemens P4'
_diffrn_measurement_method       'omega 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  0.0481
_diffrn_reflns_av_sigmaI/netI    0.1149
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            9742
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.50
_diffrn_standards_decay_%        3.15
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.057
_exptl_absorpt_correction_T_max  0.9227
_exptl_absorpt_correction_T_min  0.8716
_exptl_absorpt_correction_type   'Shelxtl-PC, semi-empirical'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.231
_exptl_crystal_description       prism
_exptl_crystal_F_000             544
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   0.589
_refine_ls_goodness_of_fit_obs   0.746
_refine_ls_matrix_type           full
_refine_ls_number_parameters     273
_refine_ls_number_reflns         4870
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.627
_refine_ls_restrained_S_obs      0.746
_refine_ls_R_factor_all          0.0984
_refine_ls_R_factor_obs          0.0424
_refine_ls_shift/esd_max         -0.130
_refine_ls_shift/esd_mean        0.007
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1335
_refine_ls_wR_factor_obs         0.1061
_reflns_number_observed          2287
_reflns_number_total             4871
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic960784a_4.cif
_cod_data_source_block           mhs966b
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.1000P)^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^)+(0.1000P)^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_database_code               4323407
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Zn Zn 0.18989(5) 0.40221(5) 0.21610(4) 0.0588(2) Uani 1 d . .
S1 S 0.1261(3) 0.5867(2) 0.2492(2) 0.0644(7) Uiso 0.59 d P .
S1' S 0.0993(4) 0.5762(3) 0.2117(3) 0.0607(10) Uiso 0.41 d P .
S2 S 0.01507(14) 0.20402(11) 0.20001(9) 0.0735(4) Uani 1 d . .
O1 O 0.3590(4) 0.7037(3) 0.1952(2) 0.0799(9) Uani 1 d . .
O2 O 0.0447(4) 0.3254(4) 0.3684(3) 0.1038(12) Uani 1 d . .
N1 N 0.3808(4) 0.4023(4) 0.3181(2) 0.0584(9) Uani 1 d . .
N2 N 0.2586(4) 0.3878(4) 0.0889(2) 0.0614(9) Uani 1 d . .
C1 C 0.5031(5) 0.4961(4) 0.3255(3) 0.0639(12) Uani 1 d . .
H1 H 0.5013(5) 0.5593(4) 0.2791(3) 0.078 Uiso 1 d R .
C2 C 0.6336(5) 0.5075(5) 0.3952(3) 0.0696(13) Uani 1 d . .
C3 C 0.6305(6) 0.4160(5) 0.4607(3) 0.0742(14) Uani 1 d . .
H3 H 0.7175(6) 0.4208(5) 0.5112(3) 0.091 Uiso 1 d R .
C4 C 0.5070(6) 0.3165(5) 0.4556(3) 0.0708(13) Uani 1 d . .
C5 C 0.3839(5) 0.3133(4) 0.3826(3) 0.0642(12) Uani 1 d . .
H5 H 0.2963(5) 0.2439(4) 0.3761(3) 0.076 Uiso 1 d R .
C6 C 0.7703(6) 0.6153(6) 0.3973(4) 0.105(2) Uani 1 d . .
H6A H 0.7481(6) 0.6685(6) 0.3457(4) 0.130 Uiso 1 d R .
H6B H 0.8032(6) 0.6675(6) 0.4596(4) 0.130 Uiso 1 d R .
H6C H 0.8455(6) 0.5787(6) 0.3879(4) 0.130 Uiso 1 d R .
C7 C 0.5023(6) 0.2145(5) 0.5257(4) 0.104(2) Uani 1 d . .
H7A H 0.4063(6) 0.1542(5) 0.5099(4) 0.129 Uiso 1 d R .
H7B H 0.5722(6) 0.1686(5) 0.5211(4) 0.129 Uiso 1 d R .
H7C H 0.5255(6) 0.2556(5) 0.5914(4) 0.129 Uiso 1 d R .
C8 C 0.2461(5) 0.4683(4) 0.0198(3) 0.0656(12) Uani 1 d . .
H8 H 0.2038(5) 0.5370(4) 0.0299(3) 0.080 Uiso 1 d R .
C9 C 0.2911(5) 0.4587(5) -0.0650(3) 0.0677(13) Uani 1 d . .
C10 C 0.3475(5) 0.3576(5) -0.0772(3) 0.0783(14) Uani 1 d . .
H10 H 0.3791(5) 0.3472(5) -0.1353(3) 0.095 Uiso 1 d R .
C11 C 0.3606(5) 0.2707(5) -0.0089(4) 0.0790(14) Uani 1 d . .
C12 C 0.3126(5) 0.2905(5) 0.0738(3) 0.0744(13) Uani 1 d . .
H12 H 0.3194(5) 0.2310(5) 0.1229(3) 0.087 Uiso 1 d R .
C13 C 0.2760(5) 0.5551(5) -0.1384(3) 0.093(2) Uani 1 d . .
H13A H 0.3111(5) 0.5344(5) -0.1929(3) 0.118 Uiso 1 d R .
H13B H 0.1754(5) 0.5537(5) -0.1615(3) 0.118 Uiso 1 d R .
H13C H 0.3328(5) 0.6403(5) -0.1070(3) 0.118 Uiso 1 d R .
C14 C 0.4226(8) 0.1587(6) -0.0212(4) 0.131(2) Uani 1 d . .
H14A H 0.4499(8) 0.1585(6) -0.0820(4) 0.162 Uiso 1 d R .
H14B H 0.5068(8) 0.1669(6) 0.0325(4) 0.162 Uiso 1 d R .
H14C H 0.3498(8) 0.0787(6) -0.0211(4) 0.162 Uiso 1 d R .
C15 C 0.2425(5) 0.7106(4) 0.2060(3) 0.0624(11) Uani 1 d . .
C16 C 0.2024(5) 0.8397(5) 0.1951(4) 0.0732(13) Uani 1 d . .
C17 C 0.1151(12) 0.8586(10) 0.2689(7) 0.124(3) Uiso 0.67 d P .
H17A H 0.0899 0.9389 0.2599 0.156 Uiso 0.67 d P .
H17B H 0.0262 0.7876 0.2555 0.156 Uiso 0.67 d P .
H17C H 0.1715 0.8604 0.3340 0.156 Uiso 0.67 d P .
C18 C 0.1236(12) 0.8361(10) 0.0925(8) 0.123(3) Uiso 0.67 d P .
H18A H 0.1823 0.8232 0.0496 0.149 Uiso 0.67 d P .
H18B H 0.0341 0.7653 0.0761 0.149 Uiso 0.67 d P .
H18C H 0.0995 0.9165 0.0817 0.149 Uiso 0.67 d P .
C19 C 0.3432(9) 0.9485(8) 0.2224(6) 0.090(2) Uiso 0.67 d P .
H19A H 0.4013 0.9408 0.1772 0.107 Uiso 0.67 d P .
H19B H 0.3202 1.0313 0.2154 0.107 Uiso 0.67 d P .
H19C H 0.3968 0.9476 0.2874 0.107 Uiso 0.67 d P .
C17' C 0.2411(23) 0.9233(20) 0.2876(15) 0.119(6) Uiso 0.33 d P .
H17D H 0.2022 0.8796 0.3366 0.142 Uiso 0.33 d P .
H17E H 0.3505 0.9504 0.3144 0.142 Uiso 0.33 d P .
H17F H 0.2139 1.0017 0.2778 0.142 Uiso 0.33 d P .
C18' C 0.0438(18) 0.8278(16) 0.1418(12) 0.089(5) Uiso 0.33 d P .
H18D H -0.0186 0.7833 0.1860 0.099 Uiso 0.33 d P .
H18E H 0.0301 0.9148 0.1415 0.099 Uiso 0.33 d P .
H18F H 0.0124 0.7824 0.0823 0.099 Uiso 0.33 d P .
C19' C 0.2895(26) 0.9247(23) 0.1258(18) 0.145(8) Uiso 0.33 d P .
H19D H 0.3823 0.9319 0.1361 0.199 Uiso 0.33 d P .
H19E H 0.2402 0.8682 0.0521 0.199 Uiso 0.33 d P .
H19F H 0.2579 1.0005 0.1113 0.199 Uiso 0.33 d P .
C20 C -0.0267(5) 0.2303(4) 0.3101(3) 0.0644(12) Uani 1 d . .
C21 C -0.1542(5) 0.1323(5) 0.3341(4) 0.0740(13) Uani 1 d . .
C22 C -0.1480(9) 0.1564(8) 0.4444(6) 0.100(2) Uiso 0.69 d P .
H22A H -0.0639 0.1333 0.4840 0.125 Uiso 0.69 d P .
H22B H -0.1370 0.2460 0.4619 0.125 Uiso 0.69 d P .
H22C H -0.2342 0.1029 0.4580 0.125 Uiso 0.69 d P .
C23 C -0.2921(9) 0.1723(8) 0.2793(7) 0.098(2) Uiso 0.69 d P .
H23A H -0.3036 0.1599 0.2085 0.119 Uiso 0.69 d P .
H23B H -0.3779 0.1189 0.2933 0.119 Uiso 0.69 d P .
H23C H -0.2807 0.2621 0.2972 0.119 Uiso 0.69 d P .
C24 C -0.1708(10) -0.0048(9) 0.3074(7) 0.105(3) Uiso 0.69 d P .
H24A H -0.0851 -0.0282 0.3430 0.136 Uiso 0.69 d P .
H24B H -0.2548 -0.0595 0.3241 0.136 Uiso 0.69 d P .
H24C H -0.1817 -0.0209 0.2383 0.136 Uiso 0.69 d P .
C22' C -0.0689(24) 0.0568(21) 0.4092(16) 0.123(7) Uiso 0.31 d P .
H22D H -0.0119 0.1140 0.4684 0.143 Uiso 0.31 d P .
H22E H -0.1362 -0.0158 0.4276 0.143 Uiso 0.31 d P .
H22F H -0.0040 0.0245 0.3810 0.143 Uiso 0.31 d P .
C23' C -0.2389(28) 0.1902(23) 0.3633(19) 0.135(8) Uiso 0.31 d P .
H23D H -0.1899 0.2561 0.4146 0.170 Uiso 0.31 d P .
H23E H -0.2923 0.2261 0.3075 0.170 Uiso 0.31 d P .
H23F H -0.3156 0.1253 0.3840 0.170 Uiso 0.31 d P .
C24' C -0.2346(20) 0.0147(17) 0.2471(14) 0.088(5) Uiso 0.31 d P .
H24D H -0.2967 0.0504 0.1931 0.105 Uiso 0.31 d P .
H24E H -0.1680 -0.0128 0.2223 0.105 Uiso 0.31 d P .
H24F H -0.3003 -0.0531 0.2690 0.105 Uiso 0.31 d P .
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'
Zn Zn 0.2839 1.4301 '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
N1 Zn N2 98.55(13) . . ?
N1 Zn S1' 121.46(13) . . ?
N2 Zn S1' 107.53(14) . . ?
N1 Zn S1 109.56(11) . . ?
N2 Zn S1 117.19(12) . . ?
S1' Zn S1 13.17(10) . . ?
N1 Zn S2 110.62(11) . . ?
N2 Zn S2 101.56(10) . . ?
S1' Zn S2 113.86(9) . . ?
S1 Zn S2 117.59(7) . . ?
S1' S1 C15 81.8(6) . . ?
S1' S1 Zn 80.6(5) . . ?
C15 S1 Zn 105.0(2) . . ?
S1 S1' C15 80.9(6) . . ?
S1 S1' Zn 86.2(5) . . ?
C15 S1' Zn 105.9(2) . . ?
C20 S2 Zn 95.7(2) . . ?
C1 N1 C5 117.6(4) . . ?
C1 N1 Zn 120.5(3) . . ?
C5 N1 Zn 121.8(3) . . ?
C8 N2 C12 117.9(4) . . ?
C8 N2 Zn 123.5(3) . . ?
C12 N2 Zn 118.5(3) . . ?
N1 C1 C2 124.2(4) . . ?
C3 C2 C1 116.0(5) . . ?
C3 C2 C6 122.8(5) . . ?
C1 C2 C6 121.2(5) . . ?
C4 C3 C2 121.9(5) . . ?
C3 C4 C5 117.2(4) . . ?
C3 C4 C7 122.6(5) . . ?
C5 C4 C7 120.2(5) . . ?
N1 C5 C4 123.0(4) . . ?
N2 C8 C9 123.6(4) . . ?
C10 C9 C8 116.6(4) . . ?
C10 C9 C13 123.1(4) . . ?
C8 C9 C13 120.4(5) . . ?
C9 C10 C11 122.0(4) . . ?
C10 C11 C12 116.3(5) . . ?
C10 C11 C14 122.7(5) . . ?
C12 C11 C14 121.0(5) . . ?
N2 C12 C11 123.5(5) . . ?
O1 C15 C16 119.8(4) . . ?
O1 C15 S1 122.8(4) . . ?
C16 C15 S1 117.0(3) . . ?
O1 C15 S1' 124.2(4) . . ?
C16 C15 S1' 115.0(3) . . ?
S1 C15 S1' 17.28(13) . . ?
C18 C16 C17' 138.6(9) . . ?
C18 C16 C19 111.4(6) . . ?
C17' C16 C19 60.6(9) . . ?
C18 C16 C15 107.0(5) . . ?
C17' C16 C15 114.2(8) . . ?
C19 C16 C15 107.3(4) . . ?
C18 C16 C18' 45.6(6) . . ?
C17' C16 C18' 108.4(11) . . ?
C19 C16 C18' 135.3(7) . . ?
C15 C16 C18' 115.8(7) . . ?
C18 C16 C17 113.9(6) . . ?
C17' C16 C17 47.2(8) . . ?
C19 C16 C17 106.9(6) . . ?
C15 C16 C17 110.1(5) . . ?
C18' C16 C17 69.2(7) . . ?
C18 C16 C19' 62.7(9) . . ?
C17' C16 C19' 105.4(12) . . ?
C19 C16 C19' 50.3(9) . . ?
C15 C16 C19' 109.9(9) . . ?
C18' C16 C19' 102.0(11) . . ?
C17 C16 C19' 138.6(10) . . ?
C17' C17 C16 63.0(11) . . ?
C17' C17 C18' 109.4(14) . . ?
C16 C17 C18' 55.0(7) . . ?
C18' C18 C16 70.3(10) . . ?
C18' C18 C19' 123.1(15) . . ?
C16 C18 C19' 63.1(10) . . ?
C19' C19 C17' 119.6(15) . . ?
C19' C19 C16 68.6(11) . . ?
C17' C19 C16 58.3(9) . . ?
C17 C17' C19 129.4(18) . . ?
C17 C17' C16 69.8(12) . . ?
C19 C17' C16 61.1(9) . . ?
C18 C18' C16 64.1(10) . . ?
C18 C18' C17 118.9(14) . . ?
C16 C18' C17 55.8(7) . . ?
C19 C19' C18 113.6(17) . . ?
C19 C19' C16 61.0(11) . . ?
C18 C19' C16 54.2(9) . . ?
O2 C20 C21 119.8(4) . . ?
O2 C20 S2 121.0(4) . . ?
C21 C20 S2 119.2(4) . . ?
C23' C21 C24 131.9(12) . . ?
C23' C21 C20 111.2(12) . . ?
C24 C21 C20 116.2(5) . . ?
C23' C21 C22 57.7(12) . . ?
C24 C21 C22 110.4(6) . . ?
C20 C21 C22 110.0(5) . . ?
C23' C21 C23 46.7(11) . . ?
C24 C21 C23 111.0(6) . . ?
C20 C21 C23 104.6(4) . . ?
C22 C21 C23 103.8(5) . . ?
C23' C21 C22' 118.3(15) . . ?
C24 C21 C22' 61.1(8) . . ?
C20 C21 C22' 100.1(8) . . ?
C22 C21 C22' 62.0(8) . . ?
C23 C21 C22' 154.8(9) . . ?
C23' C21 C24' 115.6(13) . . ?
C24 C21 C24' 37.2(6) . . ?
C20 C21 C24' 111.8(7) . . ?
C22 C21 C24' 136.3(8) . . ?
C23 C21 C24' 77.5(8) . . ?
C22' C21 C24' 98.3(10) . . ?
C23' C22 C21 51.8(11) . . ?
C23' C22 C22' 110.1(14) . . ?
C21 C22 C22' 59.6(8) . . ?
C23' C23 C21 54.3(13) . . ?
C23' C23 C24' 99.8(15) . . ?
C21 C23 C24' 52.4(6) . . ?
C24' C24 C21 79.9(12) . . ?
C24' C24 C22' 143.0(16) . . ?
C21 C24 C22' 63.0(9) . . ?
C24 C22' C21 55.9(8) . . ?
C24 C22' C22 103.4(13) . . ?
C21 C22' C22 58.4(8) . . ?
C23 C23' C21 78.9(17) . . ?
C23 C23' C22 147.5(24) . . ?
C21 C23' C22 70.5(14) . . ?
C24 C24' C21 62.8(11) . . ?
C24 C24' C23 108.7(15) . . ?
C21 C24' C23 50.1(6) . . ?
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
Zn N1 2.071(3) . ?
Zn N2 2.085(3) . ?
Zn S1' 2.269(3) . ?
Zn S1 2.295(2) . ?
Zn S2 2.3136(13) . ?
S1 S1' 0.524(4) . ?
S1 C15 1.742(5) . ?
S1' C15 1.746(5) . ?
S2 C20 1.736(5) . ?
O1 C15 1.216(5) . ?
O2 C20 1.220(5) . ?
N1 C1 1.326(5) . ?
N1 C5 1.342(5) . ?
N2 C8 1.329(5) . ?
N2 C12 1.323(5) . ?
C1 C2 1.388(6) . ?
C2 C3 1.370(6) . ?
C2 C6 1.515(6) . ?
C3 C4 1.372(6) . ?
C4 C5 1.378(6) . ?
C4 C7 1.499(6) . ?
C8 C9 1.384(6) . ?
C9 C10 1.367(6) . ?
C9 C13 1.499(6) . ?
C10 C11 1.371(6) . ?
C11 C12 1.393(6) . ?
C11 C14 1.508(7) . ?
C15 C16 1.540(6) . ?
C16 C18 1.461(11) . ?
C16 C17' 1.47(2) . ?
C16 C19 1.509(9) . ?
C16 C18' 1.53(2) . ?
C16 C17 1.545(11) . ?
C16 C19' 1.61(2) . ?
C17 C17' 1.21(2) . ?
C17 C18' 1.75(2) . ?
C18 C18' 1.16(2) . ?
C18 C19' 1.60(2) . ?
C19 C19' 1.33(2) . ?
C19 C17' 1.50(2) . ?
C20 C21 1.524(6) . ?
C21 C23' 1.30(2) . ?
C21 C24 1.461(10) . ?
C21 C22 1.555(9) . ?
C21 C23 1.565(10) . ?
C21 C22' 1.57(2) . ?
C21 C24' 1.62(2) . ?
C22 C23' 1.39(3) . ?
C22 C22' 1.61(2) . ?
C23 C23' 1.16(2) . ?
C23 C24' 1.99(2) . ?
C24 C24' 0.99(2) . ?
C24 C22' 1.55(2) . ?
