<i>catena</i>-Poly[copper(II)-{μ~3~-4,4'-dibromo-2,2'-[butane-1,4-diylbis(nitrilomethanylylidene)]diphenolato-κ^4^<i>N</i>,<i>O</i>:<i>N</i>',<i>O</i>':<i>O</i>'}]
Kargar, Hadi; Kia, Reza; Acta Crystallographica Section E 67 (2011) m499–m500; doi:10.1107/S1600536811009949

data_2229854
_publ_section_title
;
 <i>catena</i>-Poly[copper(II)-{\m~3~-4,4'-dibromo-2,2'-[butane-1,4-diylbis(nitrilomethanylylidene)]diphenolato-\k^4^<i>N</i>,<i>O</i>:<i>N</i>',<i>O</i>':<i>O</i>'}]
;
_journal_coeditor_code           SU2263
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m499
_journal_page_last               m500
_journal_paper_doi               10.1107/S1600536811009949
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Cu (C18 H16 Br2 N2 O2)]'
_chemical_formula_moiety         'C18 H16 Br2 Cu N2 O2'
_chemical_formula_sum            'C18 H16 Br2 Cu N2 O2'
_chemical_formula_weight         515.69
_chemical_name_common
;
Poly[<i>N,N'</i>-Bis(5-bromosalicylidene)-1,4-butanediamine copper(II)]
;
_chemical_name_systematic
;
<i>catena</i>-Poly[copper(II)-{\m~3~-4,4'-dibromo-2,2'-[butane-1,4-
diylbis(nitrilomethanylylidene)]diphenolato-
\k^4^<i>N</i>,<i>O</i>:<i>N</i>',<i>O</i>':<i>O</i>'}]
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 117.354(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   24.0964(9)
_cell_length_b                   10.5885(3)
_cell_length_c                   15.3528(5)
_cell_measurement_reflns_used    9961
_cell_measurement_temperature    100.0(10)
_cell_measurement_theta_max      34.75
_cell_measurement_theta_min      2.37
_cell_volume                     3479.2(2)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material
'SHELXTL (Sheldrick, 2008) and PLATON (Spek, 2009)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100.0(10)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.0372
_diffrn_reflns_av_sigmaI/netI    0.0274
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            36229
_diffrn_reflns_theta_full        32.00
_diffrn_reflns_theta_max         32.00
_diffrn_reflns_theta_min         2.15
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.864
_exptl_absorpt_correction_T_max  0.4391
_exptl_absorpt_correction_T_min  0.1967
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.969
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2024
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.17
_refine_diff_density_max         2.192
_refine_diff_density_min         -0.727
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.185
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     226
_refine_ls_number_reflns         6017
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.185
_refine_ls_R_factor_all          0.0621
_refine_ls_R_factor_gt           0.0493
_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^)+(0.0486P)^2^+32.1161P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1315
_refine_ls_wR_factor_ref         0.1387
_reflns_number_gt                4887
_reflns_number_total             6017
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            su2263.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2229854
_cod_database_fobs_code          2229854