#------------------------------------------------------------------------------
#$Date: 2015-10-09 11:17:11 +0300 (Fri, 09 Oct 2015) $
#$Revision: 161255 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/59/7035918.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_7035918
loop_
_publ_author_name
'Srinivas, Katam'
'Naga Babu, Chatla'
'Prabusankar, Ganesan'
_publ_section_title
;
 Linear Cu(i) chalcogenones: synthesis and application in borylation of
 unsymmetrical alkynes.
;
_journal_issue                   35
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15636
_journal_page_last               15644
_journal_paper_doi               10.1039/c5dt02320c
_journal_volume                  44
_journal_year                    2015
_chemical_formula_moiety         'C42 H48 Cu N4 S2, Cl O4'
_chemical_formula_sum            'C42 H48 Cl Cu N4 O4 S2'
_chemical_formula_weight         835.96
_chemical_name_systematic        3
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_date             2015-04-04
_audit_creation_method
;
  Olex2 1.1
  (compiled Nov  1 2011 20:42:30, GUI svn.r3906)
;
_audit_update_record
;
2015-06-17 deposited with the CCDC.
2015-07-22 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 101.678(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   21.1509(9)
_cell_length_b                   8.2603(3)
_cell_length_c                   24.586(1)
_cell_measurement_reflns_used    2897
_cell_measurement_temperature    298
_cell_measurement_theta_max      68.8050
_cell_measurement_theta_min      4.2710
_cell_volume                     4206.6(3)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement
;
olex2.refine (L.J. Bourhis, O.V. Dolomanov, R.J. Gildea, J.A.K. Howard,
H. Puschmann, in preparation, 2011)
;
_diffrn_ambient_temperature      298
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.1293
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.9978
_diffrn_measured_fraction_theta_max 0.9838
_diffrn_measurement_details
;
  1 omega  -38.00   -5.00   1.0000    4.3300
omega____ theta____ kappa____ phi______ frames
    -      -33.5000   57.0000   30.0000 33

  2 omega -106.00  -60.00   1.0000    4.3300
omega____ theta____ kappa____ phi______ frames
    -      -33.5000  -12.0000 -150.0000 46

  3 omega  -69.00  -34.00   1.0000    4.3300
omega____ theta____ kappa____ phi______ frames
    -      -33.5000  178.0000   30.0000 35

  4 omega  -13.00   58.00   1.0000    4.3300
omega____ theta____ kappa____ phi______ frames
    -       54.0000  -77.0000  -30.0000 71

  5 omega   69.00  101.00   1.0000    4.3300
omega____ theta____ kappa____ phi______ frames
    -       54.0000 -125.0000 -120.0000 32

  6 omega  -17.00   72.00   1.0000    4.3300
omega____ theta____ kappa____ phi______ frames
    -       54.0000  -38.0000   50.0000 89

  7 omega  -15.00   49.00   1.0000    4.3300
omega____ theta____ kappa____ phi______ frames
    -       54.0000  -38.0000 -120.0000 64

  8 omega   38.00   93.00   1.0000    4.3300
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -38.0000  150.0000 55

  9 omega   57.00   90.00   1.0000    4.3300
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -25.0000  -30.0000 33

 10 omega   65.00  124.00   1.0000    4.3300
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -77.0000    0.0000 59

 11 omega   40.00   94.00   1.0000    4.3300
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -25.0000 -150.0000 54

 12 omega  113.00  147.00   1.0000    4.3300
omega____ theta____ kappa____ phi______ frames
    -      108.0000  111.0000   30.0000 34

 13 omega   45.00   88.00   1.0000    4.3300
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -25.0000   90.0000 43

 14 omega   67.00  103.00   1.0000    4.3300
omega____ theta____ kappa____ phi______ frames
    -      108.0000 -111.0000  150.0000 36

 15 omega   40.00   93.00   1.0000    4.3300
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -38.0000   50.0000 53

 16 omega   38.00   88.00   1.0000    4.3300
omega____ theta____ kappa____ phi______ frames
    -      108.0000  -38.0000  -30.0000 50

 17 omega   38.00  108.00   1.0000    4.3300
omega____ theta____ kappa____ phi______ frames
    -      108.0000 -111.0000   30.0000 70

 18 omega  120.00  175.00   1.0000    4.3300
omega____ theta____ kappa____ phi______ frames
    -      108.0000   63.0000  120.0000 55

 19 omega   79.00  107.00   1.0000    4.3300
omega____ theta____ kappa____ phi______ frames
    -      108.0000   77.0000   60.0000 28
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0640382000
_diffrn_orient_matrix_UB_12      -0.0909756000
_diffrn_orient_matrix_UB_13      0.0200677000
_diffrn_orient_matrix_UB_21      -0.0319906000
_diffrn_orient_matrix_UB_22      -0.1582014000
_diffrn_orient_matrix_UB_23      -0.0248951000
_diffrn_orient_matrix_UB_31      0.0201546000
_diffrn_orient_matrix_UB_32      0.0379551000
_diffrn_orient_matrix_UB_33      -0.0554678000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0277
_diffrn_reflns_av_unetI/netI     0.0352
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            8849
_diffrn_reflns_theta_full        70.698736
_diffrn_reflns_theta_max         70.70
_diffrn_reflns_theta_min         3.67
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_type              'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    2.602
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.75554
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.3200
_exptl_crystal_description       block
_exptl_crystal_F_000             1752.6134
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.307960
_refine_diff_density_min         -0.342279
_refine_diff_density_rms         0.060013
_refine_ls_d_res_high            0.816831
_refine_ls_d_res_low             12.038546
_refine_ls_goodness_of_fit_ref   1.029696
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_constraints    36
_refine_ls_number_parameters     251
_refine_ls_number_reflns         3969
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.029696
_refine_ls_R_factor_all          0.064249
_refine_ls_R_factor_gt           0.048088
_refine_ls_shift/su_max          0.0018
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0804P)²+0.3974P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.145660
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              25
_reflns_limit_h_min              -25
_reflns_limit_k_max              9
_reflns_limit_k_min              0
_reflns_limit_l_max              29
_reflns_limit_l_min              0
_reflns_number_gt                2949
_reflns_number_total             3969
_reflns_threshold_expression     I>=2u(I)
_cod_data_source_file            c5dt02320c2.cif
_cod_data_source_block           3
_cod_depositor_comments
'Adding full bibliography for 7035913--7035920.cif.'
_cod_original_cell_volume        4206.5(3)
_cod_database_code               7035918
_chemical_oxdiff_formula         'C21 H28 N2 Se Cu Cl O4'
_reflns_odcompleteness_completeness 99.78
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,y,-z+1/2
3 -x,-y,-z
4 x,-y,z-1/2
5 x+1/2,y+1/2,z
6 -x+1/2,y+1/2,-z+1/2
7 -x+1/2,-y+1/2,-z
8 x+1/2,-y+1/2,z-1/2
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_refinement_flags_posn
C1 C 0.29519(12) 0.4998(3) 0.09411(11) 0.0629(6) Uani 1.000000 .
C2 C 0.35709(14) 0.4028(4) 0.17171(14) 0.0840(9) Uani 1.000000 .
H2 H 0.36947(14) 0.3537(4) 0.20629(14) 0.1008(11) Uiso 1.000000 R
C3 C 0.39632(14) 0.4628(4) 0.14107(13) 0.0819(9) Uani 1.000000 .
H3 H 0.44119(14) 0.4638(4) 0.15030(13) 0.0983(11) Uiso 1.000000 R
C4 C 0.38314(12) 0.5959(4) 0.04801(11) 0.0633(6) Uani 1.000000 .
C5 C 0.40080(12) 0.7574(3) 0.05159(12) 0.0648(7) Uani 1.000000 .
C6 C 0.42489(13) 0.8224(4) 0.00776(13) 0.0727(7) Uani 1.000000 .
H6 H 0.43722(13) 0.9307(4) 0.00934(13) 0.0873(9) Uiso 1.000000 R
C7 C 0.43110(14) 0.7326(5) -0.03765(13) 0.0792(9) Uani 1.000000 .
C8 C 0.41480(16) 0.5714(5) -0.03889(14) 0.0872(9) Uani 1.000000 .
H8 H 0.42048(16) 0.5091(5) -0.06904(14) 0.1047(11) Uiso 1.000000 R
C9 C 0.39019(15) 0.4983(4) 0.00315(13) 0.0763(8) Uani 1.000000 .
C10 C 0.3714(2) 0.3218(4) 0.00042(18) 0.1073(12) Uani 1.000000 .
H10a H 0.3925(12) 0.2683(9) 0.0338(6) 0.1609(18) Uiso 1.000000 G
H10b H 0.3255(3) 0.3125(4) -0.0034(13) 0.1609(18) Uiso 1.000000 G
H10c H 0.3842(14) 0.2721(10) -0.0310(8) 0.1609(18) Uiso 1.000000 G
C11 C 0.39388(17) 0.8592(4) 0.10078(15) 0.0908(10) Uani 1.000000 .
H11a H 0.3533(6) 0.836(2) 0.1109(7) 0.1362(14) Uiso 1.000000 G
H11b H 0.4284(8) 0.835(2) 0.1315(4) 0.1362(14) Uiso 1.000000 G
H11c H 0.3955(13) 0.9717(4) 0.0914(4) 0.1362(14) Uiso 1.000000 G
C12 C 0.45501(19) 0.8112(6) -0.08579(16) 0.1188(15) Uani 1.000000 .
H12a H 0.4283(11) 0.903(3) -0.0990(10) 0.178(2) Uiso 1.000000 G
H12b H 0.4988(6) 0.846(4) -0.0734(4) 0.178(2) Uiso 1.000000 G
H12c H 0.4530(16) 0.7340(14) -0.1153(6) 0.178(2) Uiso 1.000000 G
C13 C 0.23673(13) 0.3735(3) 0.16114(11) 0.0640(6) Uani 1.000000 .
C14 C 0.20086(14) 0.4854(3) 0.18422(12) 0.0693(7) Uani 1.000000 .
C15 C 0.14631(15) 0.4303(4) 0.20097(13) 0.0770(8) Uani 1.000000 .
H15 H 0.12145(15) 0.5033(4) 0.21641(13) 0.0923(10) Uiso 1.000000 R
C16 C 0.12740(15) 0.2698(4) 0.19550(15) 0.0790(8) Uani 1.000000 .
C17 C 0.16501(15) 0.1627(4) 0.17293(13) 0.0769(8) Uani 1.000000 .
H17 H 0.15289(15) 0.0544(4) 0.16941(13) 0.0923(9) Uiso 1.000000 R
C18 C 0.22039(15) 0.2115(4) 0.15529(13) 0.0721(7) Uani 1.000000 .
C19 C 0.2609(2) 0.0911(5) 0.13079(17) 0.1021(12) Uani 1.000000 .
H19a H 0.2699(12) 0.1337(16) 0.0968(7) 0.1531(17) Uiso 1.000000 G
H19b H 0.3007(7) 0.072(3) 0.1567(5) 0.1531(17) Uiso 1.000000 G
H19c H 0.2377(6) -0.0090(13) 0.1233(12) 0.1531(17) Uiso 1.000000 G
C20 C 0.21932(18) 0.6620(4) 0.18956(16) 0.0940(10) Uani 1.000000 .
H20a H 0.2633(5) 0.6719(4) 0.2091(10) 0.1410(15) Uiso 1.000000 G
H20b H 0.2150(13) 0.7087(9) 0.15324(17) 0.1410(15) Uiso 1.000000 G
H20c H 0.1915(9) 0.7177(8) 0.2097(10) 0.1410(15) Uiso 1.000000 G
C21 C 0.06621(19) 0.2166(5) 0.2139(2) 0.1102(13) Uani 1.000000 .
H21a H 0.0734(6) 0.217(4) 0.2537(2) 0.165(2) Uiso 1.000000 G
H21b H 0.0317(5) 0.290(3) 0.1991(12) 0.165(2) Uiso 1.000000 G
H21c H 0.0549(10) 0.1091(17) 0.2004(13) 0.165(2) Uiso 1.000000 G
Cl1 Cl 0.000000 0.69052(12) 0.250000 0.0708(3) Uani 1.000000 S
Cu1 Cu 0.250000 0.750000 0.000000 0.0695(2) Uani 1.000000 S
N1 N 0.29422(10) 0.4261(3) 0.14298(10) 0.0695(6) Uani 1.000000 .
N2 N 0.35852(10) 0.5238(3) 0.09288(10) 0.0672(6) Uani 1.000000 .
O1 O 0.03776(14) 0.7897(4) 0.22241(11) 0.1251(10) Uani 1.000000 .
O2 O 0.04150(13) 0.5943(3) 0.28972(11) 0.1120(9) Uani 1.000000 .
S1 S 0.22751(3) 0.54547(10) 0.04628(3) 0.0767(3) Uani 1.000000 .
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C 0.01920 0.00962 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
Cl 0.36843 0.69943 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
H 0.00000 0.00000 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
O 0.05239 0.03377 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
N 0.03256 0.01839 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
S 0.33537 0.55136 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
Cu -1.96878 0.60861 'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
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
N2 C1 N1 106.1(2) . .
S1 C1 N1 123.6(2) . .
S1 C1 N2 130.3(2) . .
C3 C2 H2 126.14(17) . .
N1 C2 H2 126.14(16) . .
N1 C2 C3 107.7(3) . .
H3 C3 C2 126.17(17) . .
N2 C3 C2 107.7(2) . .
N2 C3 H3 126.17(16) . .
C9 C4 C5 122.4(3) . .
N2 C4 C5 119.0(3) . .
N2 C4 C9 118.6(3) . .
C6 C5 C4 117.4(3) . .
C11 C5 C4 121.4(3) . .
C11 C5 C6 121.2(3) . .
H6 C6 C5 118.88(18) . .
C7 C6 C5 122.2(3) . .
C7 C6 H6 118.88(19) . .
C8 C7 C6 118.6(3) . .
C12 C7 C6 120.3(3) . .
C12 C7 C8 121.1(3) . .
H8 C8 C7 118.8(2) . .
C9 C8 C7 122.4(3) . .
C9 C8 H8 118.8(2) . .
C8 C9 C4 116.9(3) . .
C10 C9 C4 121.5(3) . .
C10 C9 C8 121.5(3) . .
H10a C10 C9 109.5 . .
H10b C10 C9 109.5 . .
H10b C10 H10a 109.5 . .
H10c C10 C9 109.5 . .
H10c C10 H10a 109.5 . .
H10c C10 H10b 109.5 . .
H11a C11 C5 109.5 . .
H11b C11 C5 109.5 . .
H11b C11 H11a 109.5 . .
H11c C11 C5 109.5 . .
H11c C11 H11a 109.5 . .
H11c C11 H11b 109.5 . .
H12a C12 C7 109.5 . .
H12b C12 C7 109.5 . .
H12b C12 H12a 109.5 . .
H12c C12 C7 109.5 . .
H12c C12 H12a 109.5 . .
H12c C12 H12b 109.5 . .
C18 C13 C14 122.8(3) . .
N1 C13 C14 119.4(3) . .
N1 C13 C18 117.9(3) . .
C15 C14 C13 117.5(3) . .
C20 C14 C13 121.7(3) . .
C20 C14 C15 120.7(3) . .
H15 C15 C14 118.99(18) . .
C16 C15 C14 122.0(3) . .
C16 C15 H15 118.99(19) . .
C17 C16 C15 118.3(3) . .
C21 C16 C15 119.7(3) . .
C21 C16 C17 122.0(3) . .
H17 C17 C16 118.95(18) . .
C18 C17 C16 122.1(3) . .
C18 C17 H17 118.95(18) . .
C17 C18 C13 117.2(3) . .
C19 C18 C13 121.8(3) . .
C19 C18 C17 121.0(3) . .
H19a C19 C18 109.5 . .
H19b C19 C18 109.5 . .
H19b C19 H19a 109.5 . .
H19c C19 C18 109.5 . .
H19c C19 H19a 109.5 . .
H19c C19 H19b 109.5 . .
H20a C20 C14 109.5 . .
H20b C20 C14 109.5 . .
H20b C20 H20a 109.5 . .
H20c C20 C14 109.5 . .
H20c C20 H20a 109.5 . .
H20c C20 H20b 109.5 . .
H21a C21 C16 109.5 . .
H21b C21 C16 109.5 . .
H21b C21 H21a 109.5 . .
H21c C21 C16 109.5 . .
H21c C21 H21a 109.5 . .
H21c C21 H21b 109.5 . .
O1 Cl1 O1 109.0(3) . 2
O2 Cl1 O1 108.96(18) . .
O2 Cl1 O1 109.04(16) . 2
O2 Cl1 O1 108.96(18) 2 2
O2 Cl1 O1 109.04(16) 2 .
O2 Cl1 O2 111.8(2) . 2
S1 Cu1 S1 180.0 . 7_565
C2 N1 C1 109.3(2) . .
C13 N1 C1 125.2(2) . .
C13 N1 C2 125.5(2) . .
C3 N2 C1 109.2(2) . .
C4 N2 C1 126.0(2) . .
C4 N2 C3 124.8(2) . .
Cu1 S1 C1 107.19(9) 7_565 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.351(3) .
C1 N2 1.360(3) .
C1 S1 1.701(3) .
C2 H2 0.9300 .
C2 C3 1.325(4) .
C2 N1 1.387(3) .
C3 H3 0.9300 .
C3 N2 1.383(4) .
C4 C5 1.383(4) .
C4 C9 1.399(4) .
C4 N2 1.441(3) .
C5 C6 1.390(4) .
C5 C11 1.504(4) .
C6 H6 0.9300 .
C6 C7 1.368(4) .
C7 C8 1.374(5) .
C7 C12 1.523(4) .
C8 H8 0.9300 .
C8 C9 1.386(5) .
C9 C10 1.509(5) .
C10 H10a 0.9600 .
C10 H10b 0.9600 .
C10 H10c 0.9600 .
C11 H11a 0.9600 .
C11 H11b 0.9600 .
C11 H11c 0.9600 .
C12 H12a 0.9600 .
C12 H12b 0.9600 .
C12 H12c 0.9600 .
C13 C14 1.388(4) .
C13 C18 1.383(4) .
C13 N1 1.445(3) .
C14 C15 1.378(4) .
C14 C20 1.509(4) .
C15 H15 0.9300 .
C15 C16 1.384(4) .
C16 C17 1.379(4) .
C16 C21 1.519(5) .
C17 H17 0.9300 .
C17 C18 1.388(4) .
C18 C19 1.515(4) .
C19 H19a 0.9600 .
C19 H19b 0.9600 .
C19 H19c 0.9600 .
C20 H20a 0.9600 .
C20 H20b 0.9600 .
C20 H20c 0.9600 .
C21 H21a 0.9600 .
C21 H21b 0.9600 .
C21 H21c 0.9600 .
Cl1 O1 1.410(3) .
Cl1 O1 1.410(3) 2
Cl1 O2 1.417(2) .
Cl1 O2 1.417(2) 2
Cu1 S1 2.1434(7) .
Cu1 S1 2.1434(7) 7_565
