Di-μ-chlorido-bis{[2-(8-quinolyloxy)acetato-κ^3^<i>N</i>,<i>O</i>^1^,<i>O</i>^2^]copper(II)}
Wang, Zhi-hong; Fan, Jun; Zhang, Wei-guang; Wang, Jun; Acta Crystallographica Section E 64 (2008) m1446–; doi:10.1107/S1600536808031656

data_2220030
_publ_section_title
Di-\m-chlorido-bis{[2-(8-quinolyloxy)acetato-\k^3^<i>N</i>,<i>O</i>^1^,<i>O</i>^2^]copper(II)}
_journal_coeditor_code           ZL2140
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1446
_journal_paper_doi               10.1107/S1600536808031656
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Cu2 (C11 H8 N O3)2 Cl2]'
_chemical_formula_moiety         'C22 H16 Cl2 Cu2 N2 O6'
_chemical_formula_sum            'C22 H16 Cl2 Cu2 N2 O6'
_chemical_formula_weight         602.35
_chemical_name_systematic
;
Di-\m-chlorido-bis{[2-(8-quinolyloxy)acetato-
\k^3^<i>N</i>,<i>O</i>^1^,<i>O</i>^2^]copper(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_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 98.85(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.3796(17)
_cell_length_b                   19.195(4)
_cell_length_c                   13.392(3)
_cell_measurement_reflns_used    2969
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.77
_cell_measurement_theta_min      1.87
_cell_volume                     2128.4(8)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT (Bruker, 1999)'
_computing_molecular_graphics
'SHELXTL (Sheldrick, 2008) and <i>ORTEP-3</i> (Farrugia, 1997)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART APEXII CCD area-detector'
_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  0.0490
_diffrn_reflns_av_sigmaI/netI    0.0619
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            11625
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.87
_exptl_absorpt_coefficient_mu    2.295
_exptl_absorpt_correction_T_max  0.5822
_exptl_absorpt_correction_T_min  0.4621
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.880
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1208
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.24
_refine_diff_density_max         0.441
_refine_diff_density_min         -0.466
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     307
_refine_ls_number_reflns         4179
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          0.0763
_refine_ls_R_factor_gt           0.0401
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0256P)^2^+1.1172P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0734
_refine_ls_wR_factor_ref         0.0870
_reflns_number_gt                2737
_reflns_number_total             4179
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            zl2140.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2220030
_cod_database_fobs_code          2220030