Tetrakis{2-[2-(2,6-dichloroanilino)phenyl]ethanoato-κ^2^<i>O</i>:<i>O</i>'}bis[(dimethyl sulfoxide-κ<i>O</i>)copper(II)](<i>Cu</i>—<i>Cu</i>): a binuclear Cu^II^ complex with the non-steroidal anti-inflammatory drug diclofenac
Sayen, Stéphanie; Guillon, Emmanuel; Acta Crystallographica Section E 68 (2012) m474–m475; doi:10.1107/S160053681201152X

data_2234183
_publ_section_title
;
 Tetrakis{2-[2-(2,6-dichloroanilino)phenyl]ethanoato-\k^2^<i>O</i>:<i>O</i>'}bis[(dimethyl
 sulfoxide-\k<i>O</i>)copper(II)](<i>Cu</i>---<i>Cu</i>): a binuclear
 Cu^II^ complex with the non-steroidal anti-inflammatory drug diclofenac
;
_journal_coeditor_code           GG2076
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m474
_journal_page_last               m475
_journal_paper_doi               10.1107/S160053681201152X
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Cu2 (C14 H10 Cl2 N1 O2)4 (C2 H6 O S)2]'
_chemical_formula_moiety         'C60 H52 Cl8 Cu2 N4 O10 S2'
_chemical_formula_sum            'C60 H52 Cl8 Cu2 N4 O10 S2'
_chemical_formula_weight         1463.90
_chemical_name_systematic
;
Tetrakis{2-[2-(2,6-dichloroanilino)phenyl]ethanoato-
\k^2^<i>O</i>:<i>O</i>'}bis[(dimethyl
sulfoxide-\k<i>O</i>)copper(II)](<i>Cu</i>---<i>Cu</i>)
;
_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                81.605(5)
_cell_angle_beta                 75.561(5)
_cell_angle_gamma                68.489(5)
_cell_formula_units_Z            1
_cell_length_a                   10.357(5)
_cell_length_b                   12.787(5)
_cell_length_c                   12.925(5)
_cell_measurement_reflns_used    19895
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      33.3212
_cell_measurement_theta_min      2.9684
_cell_volume                     1539.4(11)
_computing_cell_refinement
;
CrysAlis PRO (Oxford Diffraction, 2010)
;
_computing_data_collection
;
CrysAlis PRO (Oxford Diffraction, 2010)
;
_computing_data_reduction
;
CrysAlis PRO (Oxford Diffraction, 2010)
;
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 10.4508
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.902
_diffrn_measurement_device_type  'Oxford Diffraction SuperNova Atlas'
_diffrn_measurement_method       CCD
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0297
_diffrn_reflns_av_sigmaI/netI    0.0294
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            42084
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         33.39
_diffrn_reflns_theta_min         2.97
_exptl_absorpt_coefficient_mu    1.168
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.867
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(ABSPACK; Oxford Diffraction, 2010)
;
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.579
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             746
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.706
_refine_diff_density_min         -0.507
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.993
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     396
_refine_ls_number_reflns         10796
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.993
_refine_ls_R_factor_all          0.0418
_refine_ls_R_factor_gt           0.0308
_refine_ls_shift/su_max          0.012
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0335P)^2^+0.9652P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0712
_refine_ls_wR_factor_ref         0.0785
_reflns_number_gt                9113
_reflns_number_total             10796
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            gg2076.cif
_cod_data_source_block           I
_cod_database_code               2234183
_cod_database_fobs_code          2234183