Di-μ-chlorido-bis[(2-aminobenzamide-κ^2^<i>N</i>^2^,<i>O</i>)chloridocopper(II)]
Damous, Maamar; Dénès, George; Bouacida, Sofiane; Hamlaoui, Meriem; Merazig, Hocine; Daran, Jean-Claude; Acta Crystallographica Section E 69 (2013) m488–; doi:10.1107/S1600536813021879

data_2238501
_publ_section_title
;
 Di-\m-chlorido-bis[(2-aminobenzamide-\k^2^<i>N</i>^2^,<i>O</i>)chloridocopper(II)]
;
_journal_coeditor_code           HG5337
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m488
_journal_paper_doi               10.1107/S1600536813021879
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '[Cu2 Cl4 (C7 H8 N2 O1)2]'
_chemical_formula_moiety         'C14 H16 Cl4 Cu2 N4 O2'
_chemical_formula_sum            'C14 H16 Cl4 Cu2 N4 O2'
_chemical_formula_weight         541.21
_chemical_name_systematic
Di-\m-chlorido-bis[(2-aminobenzamide-\k^2^<i>N</i>^2^,<i>O</i>)chloridocopper(II)]
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 98.771(5)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.1888(5)
_cell_length_b                   13.8545(6)
_cell_length_c                   8.1592(4)
_cell_measurement_reflns_used    3363
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      28.185
_cell_measurement_theta_min      2.909
_cell_volume                     914.85(8)
_computing_cell_refinement       'CrysAlis PRO (Agilent, 2011)'
_computing_data_collection       'CrysAlis PRO (Agilent, 2011)'
_computing_data_reduction        'CrysAlis PRO (Agilent, 2011)'
_computing_molecular_graphics
'ORTEP-3 for Windows (Farrugia, 2012) and DIAMOND (Brandenburg & Berndt, 2001)'
_computing_publication_material  'WinGX (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR2002 (Burla <i>et al.</i>, 2003)'
_diffrn_ambient_temperature      180(2)
_diffrn_detector_area_resol_mean 8.2632
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.908
_diffrn_measurement_device_type  'Agilent Xcalibur (Sapphire1)'
_diffrn_measurement_method       '\w scans'
_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  0.0221
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            5578
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         28.25
_diffrn_reflns_theta_min         2.91
_exptl_absorpt_coefficient_mu    2.926
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.69858
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Agilent, 2011)
;
_exptl_crystal_colour            Green
_exptl_crystal_density_diffrn    1.965
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Cube
_exptl_crystal_F_000             540
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.407
_refine_diff_density_min         -0.406
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     118
_refine_ls_number_reflns         2058
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0247
_refine_ls_R_factor_gt           0.0219
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0307P)^2^+0.3739P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0566
_refine_ls_wR_factor_ref         0.0584
_reflns_number_gt                1897
_reflns_number_total             2058
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            hg5337.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2238501
_cod_database_fobs_code          2238501