Crystal structure of <i>catena</i>-poly[[bis(acetato-κ<i>O</i>)copper(II)]-bis[μ-4-(1<i>H</i>-imidazol-1-yl)phenol]-κ^2^<i>N</i>^3^:<i>O</i>;κ^2^<i>O</i>:<i>N</i>^3^]
Poyraz, Mehmet; Sarı, Musa; Acta Crystallographica Section E 73 (2017) 209–212; doi:10.1107/S2056989017000780

data_2242030
_publ_section_title
;
 Crystal structure of
 <i>catena</i>-poly[[bis(acetato-\k<i>O</i>)copper(II)]-bis[\m-4-(1<i>H</i>-imidazol-1-yl)phenol]-\k^2^<i>N</i>^3^:<i>O</i>;\k^2^<i>O</i>:<i>N</i>^3^]
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              209
_journal_page_last               212
_journal_paper_doi               10.1107/S2056989017000780
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac          '[Cu (C2 H3 O2)2 (C9 H8 N2 O)2]'
_chemical_formula_moiety         'C22 H22 Cu N4 O6'
_chemical_formula_sum            'C22 H22 Cu N4 O6'
_chemical_formula_weight         501.99
_chemical_name_systematic
<i>catena</i>-Poly[[bis(acetato-\k<i>O</i>)copper(II)]-bis[\m-4-(1<i>H</i>-imidazol-1-yl)phenol]-\k^2^<i>N</i>^3^:<i>O</i>;\k^2^<i>O</i>:<i>N</i>^3^]
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                90
_cell_angle_beta                 111.545(4)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.2029(15)
_cell_length_b                   15.089(2)
_cell_length_c                   7.7814(11)
_cell_measurement_reflns_used    9911
_cell_measurement_temperature    296
_cell_measurement_theta_max      28.00
_cell_measurement_theta_min      3.15
_cell_volume                     1114.3(3)
_computing_cell_refinement
;
SAINT (Bruker, 2013)
;
_computing_data_collection
;
APEX2 (Bruker, 2013)
;
_computing_data_reduction
;
SAINT (Bruker, 2013)
;
_computing_molecular_graphics
;
Mercury (Macrae <i>et al.</i>,  2008)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      296
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0505
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            40729
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.317
_diffrn_reflns_theta_min         3.122
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.027
_exptl_absorpt_correction_T_max  0.931
_exptl_absorpt_correction_T_min  0.895
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(<i>SADABS</i>; Bruker, 2013)
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.496
_exptl_crystal_description       block
_exptl_crystal_F_000             518
_exptl_crystal_size_max          0.11
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.259
_refine_diff_density_min         -0.297
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.150
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     153
_refine_ls_number_reflns         2784
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.150
_refine_ls_R_factor_all          0.0593
_refine_ls_R_factor_gt           0.0413
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0249P)^2^+1.2448P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0926
_refine_ls_wR_factor_ref         0.0997
_reflns_number_gt                2156
_reflns_number_total             2784
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            wm4035sup1.cif
_cod_data_source_block           I
_cod_original_cell_volume        1114.2(3)
_cod_database_code               2242030
_cod_database_fobs_code          2242030
_shelx_hkl_checksum              13351
_shelx_res_checksum              58162
_shelxl_version_number           .0002014