A μ-Oxamidato-Bridged Dinuclear Copper(II) Complex
Chen, Z.-N.; Jun, Q.; Tang, W.-X.; Chen, J.; Zheng, P.-J.; Acta Crystallographica Section C 52 (1996) 2752–2754; doi:10.1107/S0108270196005793

data_2005686
_publ_section_title
;
 A \m-Oxamidato-Bridged Dinuclear Copper(II) Complex
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2752
_journal_page_last               2754
_journal_paper_doi               10.1107/S0108270196005793
_journal_volume                  52
_journal_year                    1996
_chemical_formula_iupac
'[Cu2 (C6 H12 N4 O2) (C8 H6 N2)2 (H2 O)2] (Cl O4)2'
_chemical_formula_moiety         'C11 H14 Cu N4 O2 , Cl O4'
_chemical_formula_sum            'C11 H14 Cl Cu N4 O6'
_chemical_formula_weight         397.26
_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_type_scat_source           IntTabIV
_cell_angle_alpha                101.81(1)
_cell_angle_beta                 102.65(2)
_cell_angle_gamma                112.03(1)
_cell_formula_units_Z            2
_cell_length_a                   6.936(2)
_cell_length_b                   9.747(3)
_cell_length_c                   12.057(1)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(1)
_cell_measurement_theta_max      13.4
_cell_measurement_theta_min      10.2
_cell_volume                     699.2(3)
_computing_cell_refinement       'CAD-4 Software'
_computing_data_collection       'CAD-4 Software (Enraf-Nonius, 1989)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_structure_refinement  'SDP-Plus (Frenz, 1985)'
_computing_structure_solution    'MULTAN11/84 (Main, Germain & Woolfson, 1984)'
_diffrn_measurement_device       'Enraf-Nonius CAD4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.011
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2740
_diffrn_reflns_theta_max         25
_diffrn_standards_decay_%        0.4
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.795
_exptl_absorpt_correction_T_max  0.84
_exptl_absorpt_correction_T_min  0.78
_exptl_absorpt_correction_type   '\y scans (North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            blue-green
_exptl_crystal_density_diffrn    1.892
_exptl_crystal_description       block-shaped
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.21
_refine_diff_density_min         0.12
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   0.66
_refine_ls_hydrogen_treatment    refiso
_refine_ls_number_parameters     251
_refine_ls_number_reflns         2345
_refine_ls_R_factor_obs          0.026
_refine_ls_shift/esd_max         0.19
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.028
_reflns_number_observed          2345
_reflns_number_total             2468
_reflns_observed_criterion       >3\s(I)
_cod_data_source_file            sz1007.cif
_cod_data_source_block           sz1007a
_cod_depositor_comments
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 Adding the _atom_site_type_symbol data item.

 Antanas Vaitkus,
 2017-01-19

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1' was changed to 'unit'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_formula_sum        'C11 H14 O6 N4 Cl Cu'
_cod_database_code               2005686