Tetrakis(μ-2-bromobenzoato-κ^2^<i>O,O</i>')bis[(<i>N,N</i>'-dimethylformamide)copper(II)], a new binuclear complex containing a metal‒metal bond
Yu-Liang Zhang; Su-Wen Chen; Wei-Sheng Liu; Da-Qi Wang; Acta Crystallographica Section E 60 (2004) m196–m197; doi:10.1107/S1600536804000649

data_2203191
_publ_section_title
;Tetrakis(\m-2-bromobenzoato-\k^2^<i>O,O</i>')bis[(<i>N,N</i>'-dimethylformamide)copper(II)],
 a new binuclear complex containing a metal--metal bond
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m196
_journal_page_last               m197
_journal_paper_doi               10.1107/S1600536804000649
_journal_volume                  60
_journal_year                    2004
_chemical_formula_iupac          '[Cu2 (C7 H4 Br1 O2)4 (C3 H7 N1 O1)2]'
_chemical_formula_moiety         'C34 H30 Br4 Cu2 N2 O10'
_chemical_formula_sum            'C34 H30 Br4 Cu2 N2 O10'
_chemical_formula_weight         1073.32
_chemical_name_systematic
;
Tetrakis(\m-2-bromobenzoato-\k^2^O,O')bis[(N,N'-dimethylformamide)copper(II)]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 92.224(17)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.278(12)
_cell_length_b                   10.885(13)
_cell_length_c                   17.55(2)
_cell_measurement_reflns_used    1799
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      20.62
_cell_measurement_theta_min      2.202
_cell_volume                     1962(4)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1999)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXL97
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker SMART1000 CCD'
_diffrn_measurement_method       '\f and \w'
_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  0.0540
_diffrn_reflns_av_sigmaI/netI    0.0920
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            9841
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.26
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    5.211
_exptl_absorpt_correction_T_max  0.391
_exptl_absorpt_correction_T_min  0.161
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 1999)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.816
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1052
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.925
_refine_diff_density_min         -0.765
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.855
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     235
_refine_ls_number_reflns         3407
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.855
_refine_ls_R_factor_all          0.1126
_refine_ls_R_factor_gt           0.0489
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0616P)^2^] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1066
_refine_ls_wR_factor_ref         0.1228
_reflns_number_gt                1731
_reflns_number_total             3407
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb6008.cif
_cod_data_source_block           I
_cod_original_cell_volume        1963(4)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2203191