<i>catena</i>-Poly[copper(II)-bis(μ-2,4-dichloro-6-formylphenolato)-κ^3^<i>O</i>,<i>O</i>':<i>Cl</i>^4^;κ^3^<i>Cl</i>^4^:<i>O</i>,<i>O</i>']
Fan, Ying; You, Wei; Liu, Jian-Lan; Qian, Hui-Fen; Huang, Wei; Acta Crystallographica Section E 64 (2008) m1011–; doi:10.1107/S1600536808020424

data_2218885
_publ_section_title
<i>catena</i>-Poly[copper(II)-bis(\m-2,4-dichloro-6-formylphenolato)-\k^3^<i>O</i>,<i>O</i>':<i>Cl</i>^4^;\k^3^<i>Cl</i>^4^:<i>O</i>,<i>O</i>']
_journal_coeditor_code           BI2288
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1011
_journal_paper_doi               10.1107/S1600536808020424
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Cu (C7 H3 Cl2 O2)2]'
_chemical_formula_moiety         'C14 H6 Cl4 Cu O4'
_chemical_formula_sum            'C14 H6 Cl4 Cu O4'
_chemical_formula_weight         443.53
_chemical_name_systematic
;
catena-Poly[copper(II)-bis(\m-2,4-dichloro-6-formylphenolato)-\
\k^3^<i>O</i>,<i>O</i>':Cl^4^;\k^3^Cl^4^:<i>O</i>,<i>O</i>']
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.1564(8)
_cell_length_b                   12.4746(12)
_cell_length_c                   14.7296(14)
_cell_measurement_reflns_used    3128
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      27.571
_cell_measurement_theta_min      2.766
_cell_volume                     1498.7(3)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker SMART 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  0.0434
_diffrn_reflns_av_sigmaI/netI    0.0264
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            7424
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.77
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.185
_exptl_absorpt_correction_T_max  0.811
_exptl_absorpt_correction_T_min  0.750
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.966
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             876
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.408
_refine_diff_density_min         -0.827
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     106
_refine_ls_number_reflns         1471
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0410
_refine_ls_R_factor_gt           0.0331
_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^)+(0.0631P)^2^+0.6132P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0999
_refine_ls_wR_factor_ref         0.1029
_reflns_number_gt                1215
_reflns_number_total             1471
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bi2288.cif
_cod_data_source_block           I
_cod_database_code               2218885
_cod_database_fobs_code          2218885