#------------------------------------------------------------------------------
#$Date: 2018-10-12 14:38:50 +0300 (Fri, 12 Oct 2018) $
#$Revision: 211402 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/17/8101745.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_8101745
loop_
_publ_author_name
'Song, X.-M.'
'Li, D.-C.'
'Wei, J.-F.'
'Dou, J.-M.'
_publ_section_title
;
Crystal structure of cyclo-bis{[(benzo-15-crown-5)-sodium] [1,2-dicyanoethene-
1,2-dithiolato-aurate(I)]} 1,2-dichloroethane solvate, {[Na(C₁₄H₂₀O₅)]
[Au(C₄N₂S₂)₂]}₂ · C₂H₄Cl₂
;
_journal_issue                   2
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              231
_journal_page_last               233
_journal_volume                  220
_journal_year                    2005
_chemical_formula_moiety
'[Na(b15-cr-5)]~2~[Au(mnt)~2~]~2~ &#x00B7; C~2~H~4~Cl~2~'
_chemical_formula_sum            'C46 H44 Au2 Cl2 N8 Na2 O10 S8'
_chemical_formula_weight         1636.18
_chemical_melting_point          434.1(10)
_chemical_name_systematic
;\
cyclo-bis{[(15-crown-5)sodium][1,2-dicyanoethene-\
1,2-dithiolato-aurate(I)]} 1,2-dichloroethane solvate
;
_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                111.856(6)
_cell_angle_beta                 100.449(6)
_cell_angle_gamma                92.350(7)
_cell_formula_units_Z            1
_cell_length_a                   7.612(4)
_cell_length_b                   12.857(6)
_cell_length_c                   16.753(8)
_cell_measurement_reflns_used    3762
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.837
_cell_measurement_theta_min      2.784
_cell_volume                     1485.9(13)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker SMART CCD'
_diffrn_measurement_method       omega/phi
_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  0.0235
_diffrn_reflns_av_sigmaI/netI    0.0508
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            7842
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.57
_exptl_absorpt_coefficient_mu    5.376
_exptl_absorpt_correction_T_max  0.4127
_exptl_absorpt_correction_T_min  0.2954
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            crimson
_exptl_crystal_density_diffrn    1.829
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             798
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.979
_refine_diff_density_min         -1.017
_refine_diff_density_rms         0.102
_refine_ls_extinction_coef       0.00381(12)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     353
_refine_ls_number_reflns         5166
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0384
_refine_ls_R_factor_gt           0.0288
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0100P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0475
_refine_ls_wR_factor_ref         0.0491
_reflns_number_gt                4340
_reflns_number_total             5166
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1267-1486.cff
_cod_data_source_block           12671486
_cod_depositor_comments
;
 Correcting the _chemical_name_systematic data item value by replacing
 the angle brackets ('<', '>') with braces ('{', '}').

 Antanas Vaitkus,
 2018-10-12

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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius 

The following automatic conversions were performed:

'_chemical_melting_point' value '160-162 C' was changed to
'434.1(10)' - it was converted from degrees Celsius(C) to Kelvins(K),
the average value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 1673 2011-04-08 12:14:43Z adriana 
;
_cod_original_cell_volume        1485.8(12)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               8101745
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_Wyckoff_symbol
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.72562(2) -0.005239(18) 0.959299(12) 0.03594(8) Uani 1 2 i d . . .
S1 S 0.79517(17) 0.15631(11) 0.93607(8) 0.0452(3) Uani 1 2 i d . . .
S2 S 0.59531(16) -0.09966(11) 0.81176(8) 0.0442(3) Uani 1 2 i d . . .
S3 S 0.85319(17) 0.09356(11) 1.10581(8) 0.0443(3) Uani 1 2 i d . . .
S4 S 0.66946(16) -0.16672(11) 0.98572(8) 0.0443(3) Uani 1 2 i d . . .
Na1 Na 1.0800(2) 0.33679(15) 0.71693(11) 0.0398(4) Uani 1 2 i d . . .
O1 O 0.9237(4) 0.5113(3) 0.74872(19) 0.0405(8) Uani 1 2 i d . . .
O2 O 0.8659(4) 0.3504(3) 0.59549(19) 0.0446(8) Uani 1 2 i d . . .
O3 O 1.0556(4) 0.1691(3) 0.58677(19) 0.0460(8) Uani 1 2 i d . . .
O4 O 1.3430(4) 0.3307(3) 0.6520(2) 0.0451(8) Uani 1 2 i d . . .
O5 O 1.2876(4) 0.5139(3) 0.7864(2) 0.0451(8) Uani 1 2 i d . . .
N1 N 0.8327(6) 0.2446(4) 0.7573(3) 0.0608(13) Uani 1 2 i d . . .
N2 N 0.5392(6) -0.0596(4) 0.6041(3) 0.0725(15) Uani 1 2 i d . . .
N3 N 0.9382(7) 0.0639(4) 1.3159(3) 0.0838(17) Uani 1 2 i d . . .
N4 N 0.7347(6) -0.2555(4) 1.1749(3) 0.0641(13) Uani 1 2 i d . . .
C1 C 0.8649(6) 0.5419(4) 0.6783(3) 0.0379(12) Uani 1 2 i d . . .
C2 C 0.8320(7) 0.6485(4) 0.6856(4) 0.0545(14) Uani 1 2 i d . . .
H2 H 0.8538 0.7073 0.7407 0.065 Uiso 1 2 i calc R . .
C3 C 0.7660(7) 0.6684(5) 0.6108(4) 0.0668(17) Uani 1 2 i d . . .
H3 H 0.7436 0.7409 0.6158 0.080 Uiso 1 2 i calc R . .
C4 C 0.7339(7) 0.5841(5) 0.5309(4) 0.0676(17) Uani 1 2 i d . . .
H4 H 0.6887 0.5988 0.4813 0.081 Uiso 1 2 i calc R . .
C5 C 0.7675(6) 0.4747(5) 0.5215(3) 0.0552(15) Uani 1 2 i d . . .
H5 H 0.7462 0.4169 0.4659 0.066 Uiso 1 2 i calc R . .
C6 C 0.8325(6) 0.4535(4) 0.5954(3) 0.0395(12) Uani 1 2 i d . . .
C7 C 0.8462(6) 0.2575(4) 0.5119(3) 0.0497(13) Uani 1 2 i d . . .
H7A H 0.9304 0.2719 0.4791 0.060 Uiso 1 2 i calc R . .
H7B H 0.7251 0.2470 0.4774 0.060 Uiso 1 2 i calc R . .
C8 C 0.8839(7) 0.1553(4) 0.5308(3) 0.0510(14) Uani 1 2 i d . . .
H8A H 0.7915 0.1381 0.5585 0.061 Uiso 1 2 i calc R . .
H8B H 0.8780 0.0918 0.4758 0.061 Uiso 1 2 i calc R . .
C9 C 1.2022(7) 0.1586(4) 0.5434(3) 0.0532(14) Uani 1 2 i d . . .
H9A H 1.1824 0.1940 0.5010 0.064 Uiso 1 2 i calc R . .
H9B H 1.2138 0.0796 0.5124 0.064 Uiso 1 2 i calc R . .
C10 C 1.3685(7) 0.2153(4) 0.6116(3) 0.0543(14) Uani 1 2 i d . . .
H10A H 1.3873 0.1813 0.6549 0.065 Uiso 1 2 i calc R . .
H10B H 1.4725 0.2083 0.5848 0.065 Uiso 1 2 i calc R . .
C11 C 1.4927(6) 0.3981(5) 0.7190(3) 0.0558(15) Uani 1 2 i d . . .
H11A H 1.5999 0.3953 0.6949 0.067 Uiso 1 2 i calc R . .
H11B H 1.5154 0.3706 0.7661 0.067 Uiso 1 2 i calc R . .
C12 C 1.4454(6) 0.5157(5) 0.7527(3) 0.0542(14) Uani 1 2 i d . . .
H12A H 1.5431 0.5652 0.7988 0.065 Uiso 1 2 i calc R . .
H12B H 1.4238 0.5433 0.7056 0.065 Uiso 1 2 i calc R . .
C13 C 1.2153(6) 0.6186(4) 0.8132(3) 0.0502(13) Uani 1 2 i d . . .
H13A H 1.2078 0.6494 0.7680 0.060 Uiso 1 2 i calc R . .
H13B H 1.2909 0.6725 0.8671 0.060 Uiso 1 2 i calc R . .
C14 C 1.0333(6) 0.5954(4) 0.8272(3) 0.0486(13) Uani 1 2 i d . . .
H14A H 1.0433 0.5693 0.8751 0.058 Uiso 1 2 i calc R . .
H14B H 0.9767 0.6644 0.8436 0.058 Uiso 1 2 i calc R . .
C15 C 0.7829(6) 0.1828(5) 0.7848(3) 0.0430(13) Uani 1 2 i d . . .
C16 C 0.7288(6) 0.1066(4) 0.8223(3) 0.0377(12) Uani 1 2 i d . . .
C17 C 0.6448(6) 0.0022(4) 0.7712(3) 0.0402(12) Uani 1 2 i d . . .
C18 C 0.5868(6) -0.0318(4) 0.6776(3) 0.0477(13) Uani 1 2 i d . . .
C19 C 0.8873(7) 0.0307(4) 1.2422(3) 0.0513(14) Uani 1 2 i d . . .
C20 C 0.8227(6) -0.0075(4) 1.1475(3) 0.0393(12) Uani 1 2 i d . . .
C21 C 0.7499(6) -0.1152(4) 1.0991(3) 0.0365(11) Uani 1 2 i d . . .
C22 C 0.7366(6) -0.1944(4) 1.1404(3) 0.0449(13) Uani 1 2 i d . . .
Cl1 Cl 0.7570(2) 0.4962(2) 0.96712(13) 0.1300(8) Uani 1 2 i d . . .
C23 C 0.5563(13) 0.4699(8) 1.0100(6) 0.155(4) Uani 1 2 i d . . .
H23A H 0.5081 0.3908 0.9828 0.186 Uiso 1 2 i calc R . .
H23B H 0.5877 0.4918 1.0733 0.186 Uiso 1 2 i 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'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 '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'
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
S3 Au1 S1 87.78(5) . . ?
S3 Au1 S2 178.34(5) . . ?
S1 Au1 S2 90.76(5) . . ?
S3 Au1 S4 90.65(5) . . ?
S1 Au1 S4 177.38(5) . . ?
S2 Au1 S4 90.83(5) . . ?
C16 S1 Au1 100.52(17) . . ?
C17 S2 Au1 100.48(18) . . ?
C20 S3 Au1 100.81(17) . . ?
C21 S4 Au1 100.35(17) . . ?
O3 Na1 O2 69.79(12) . . ?
O3 Na1 O4 68.28(11) . . ?
O2 Na1 O4 96.35(12) . . ?
O3 Na1 O5 134.25(12) . . ?
O2 Na1 O5 107.73(12) . . ?
O4 Na1 O5 66.66(12) . . ?
O3 Na1 N1 88.93(14) . . ?
O2 Na1 N1 90.18(14) . . ?
O4 Na1 N1 152.11(15) . . ?
O5 Na1 N1 136.49(14) . . ?
O3 Na1 O1 132.54(12) . . ?
O2 Na1 O1 62.78(11) . . ?
O4 Na1 O1 117.55(12) . . ?
O5 Na1 O1 66.31(11) . . ?
N1 Na1 O1 89.54(14) . . ?
O3 Na1 N4 95.60(14) . 2_757 ?
O2 Na1 N4 161.91(14) . 2_757 ?
O4 Na1 N4 87.54(14) . 2_757 ?
O5 Na1 N4 90.05(13) . 2_757 ?
N1 Na1 N4 78.61(15) . 2_757 ?
O1 Na1 N4 130.39(14) . 2_757 ?
C1 O1 C14 117.8(4) . . ?
C1 O1 Na1 116.4(3) . . ?
C14 O1 Na1 106.1(3) . . ?
C6 O2 C7 118.0(3) . . ?
C6 O2 Na1 119.9(3) . . ?
C7 O2 Na1 115.8(3) . . ?
C9 O3 C8 114.2(3) . . ?
C9 O3 Na1 115.9(3) . . ?
C8 O3 Na1 108.9(3) . . ?
C10 O4 C11 113.9(4) . . ?
C10 O4 Na1 107.2(3) . . ?
C11 O4 Na1 108.9(3) . . ?
C12 O5 C13 114.1(4) . . ?
C12 O5 Na1 116.4(3) . . ?
C13 O5 Na1 119.1(3) . . ?
C15 N1 Na1 150.9(4) . . ?
C22 N4 Na1 146.6(4) . 2_757 ?
C2 C1 O1 124.6(4) . . ?
C2 C1 C6 120.1(5) . . ?
O1 C1 C6 115.2(4) . . ?
C1 C2 C3 119.7(5) . . ?
C1 C2 H2 120.2 . . ?
C3 C2 H2 120.2 . . ?
C4 C3 C2 120.7(5) . . ?
C4 C3 H3 119.7 . . ?
C2 C3 H3 119.7 . . ?
C3 C4 C5 120.9(5) . . ?
C3 C4 H4 119.6 . . ?
C5 C4 H4 119.6 . . ?
C6 C5 C4 119.1(5) . . ?
C6 C5 H5 120.4 . . ?
C4 C5 H5 120.4 . . ?
C5 C6 O2 125.0(5) . . ?
C5 C6 C1 119.5(5) . . ?
O2 C6 C1 115.5(4) . . ?
O2 C7 C8 106.9(4) . . ?
O2 C7 H7A 110.3 . . ?
C8 C7 H7A 110.3 . . ?
O2 C7 H7B 110.3 . . ?
C8 C7 H7B 110.3 . . ?
H7A C7 H7B 108.6 . . ?
O3 C8 C7 112.8(4) . . ?
O3 C8 H8A 109.0 . . ?
C7 C8 H8A 109.0 . . ?
O3 C8 H8B 109.0 . . ?
C7 C8 H8B 109.0 . . ?
H8A C8 H8B 107.8 . . ?
O3 C9 C10 107.8(4) . . ?
O3 C9 H9A 110.2 . . ?
C10 C9 H9A 110.2 . . ?
O3 C9 H9B 110.2 . . ?
C10 C9 H9B 110.2 . . ?
H9A C9 H9B 108.5 . . ?
O4 C10 C9 106.7(4) . . ?
O4 C10 H10A 110.4 . . ?
C9 C10 H10A 110.4 . . ?
O4 C10 H10B 110.4 . . ?
C9 C10 H10B 110.4 . . ?
H10A C10 H10B 108.6 . . ?
O4 C11 C12 106.9(4) . . ?
O4 C11 H11A 110.3 . . ?
C12 C11 H11A 110.3 . . ?
O4 C11 H11B 110.3 . . ?
C12 C11 H11B 110.3 . . ?
H11A C11 H11B 108.6 . . ?
O5 C12 C11 107.6(4) . . ?
O5 C12 H12A 110.2 . . ?
C11 C12 H12A 110.2 . . ?
O5 C12 H12B 110.2 . . ?
C11 C12 H12B 110.2 . . ?
H12A C12 H12B 108.5 . . ?
O5 C13 C14 106.7(4) . . ?
O5 C13 H13A 110.4 . . ?
C14 C13 H13A 110.4 . . ?
O5 C13 H13B 110.4 . . ?
C14 C13 H13B 110.4 . . ?
H13A C13 H13B 108.6 . . ?
O1 C14 C13 110.6(4) . . ?
O1 C14 H14A 109.5 . . ?
C13 C14 H14A 109.5 . . ?
O1 C14 H14B 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 108.1 . . ?
N1 C15 C16 177.1(5) . . ?
C17 C16 C15 121.4(4) . . ?
C17 C16 S1 124.1(4) . . ?
C15 C16 S1 114.4(4) . . ?
C16 C17 C18 121.1(4) . . ?
C16 C17 S2 123.8(4) . . ?
C18 C17 S2 115.1(4) . . ?
N2 C18 C17 179.0(6) . . ?
N3 C19 C20 177.7(6) . . ?
C21 C20 C19 120.6(5) . . ?
C21 C20 S3 124.9(4) . . ?
C19 C20 S3 114.5(4) . . ?
C20 C21 C22 120.4(4) . . ?
C20 C21 S4 123.2(4) . . ?
C22 C21 S4 116.4(4) . . ?
N4 C22 C21 176.6(5) . . ?
C23 C23 Cl1 105.1(11) 2_667 . ?
C23 C23 H23A 110.7 2_667 . ?
Cl1 C23 H23A 110.7 . . ?
C23 C23 H23B 110.7 2_667 . ?
Cl1 C23 H23B 110.7 . . ?
H23A C23 H23B 108.8 . . ?
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
Au1 S3 2.3009(15) . ?
Au1 S1 2.3092(16) . ?
Au1 S2 2.3119(15) . ?
Au1 S4 2.3172(16) . ?
S1 C16 1.736(5) . ?
S2 C17 1.741(5) . ?
S3 C20 1.714(5) . ?
S4 C21 1.741(5) . ?
Na1 O3 2.399(4) . ?
Na1 O2 2.431(3) . ?
Na1 O4 2.437(4) . ?
Na1 O5 2.470(4) . ?
Na1 N1 2.507(5) . ?
Na1 O1 2.509(4) . ?
Na1 N4 2.639(5) 2_757 ?
O1 C1 1.383(5) . ?
O1 C14 1.436(5) . ?
O2 C6 1.361(5) . ?
O2 C7 1.440(5) . ?
O3 C9 1.423(5) . ?
O3 C8 1.425(5) . ?
O4 C10 1.422(5) . ?
O4 C11 1.428(5) . ?
O5 C12 1.419(5) . ?
O5 C13 1.420(5) . ?
N1 C15 1.138(5) . ?
N2 C18 1.130(6) . ?
N3 C19 1.130(6) . ?
N4 C22 1.137(5) . ?
N4 Na1 2.639(5) 2_757 ?
C1 C2 1.368(6) . ?
C1 C6 1.400(6) . ?
C2 C3 1.382(7) . ?
C2 H2 0.9300 . ?
C3 C4 1.344(7) . ?
C3 H3 0.9300 . ?
C4 C5 1.395(7) . ?
C4 H4 0.9300 . ?
C5 C6 1.376(6) . ?
C5 H5 0.9300 . ?
C7 C8 1.489(6) . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C9 C10 1.490(6) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C11 C12 1.490(7) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 C14 1.484(6) . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C14 H14A 0.9700 . ?
C14 H14B 0.9700 . ?
C15 C16 1.430(6) . ?
C16 C17 1.349(6) . ?
C17 C18 1.437(6) . ?
C19 C20 1.455(6) . ?
C20 C21 1.349(6) . ?
C21 C22 1.437(6) . ?
Cl1 C23 1.871(11) . ?
C23 C23 1.259(14) 2_667 ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
