A two-dimensional copper(II) coordination polymer based on 2,4′-oxybis(benzoate) and 4,4′-bipyridine
Tang, Long; Zhang, Juan; Liu, Xiao-Xia; Wang, Ji-Jiang; Fu, Feng; Acta Crystallographica Section C Structural Chemistry 73 (2017) –; doi:10.1107/S2053229617007537

data_2020827
_publ_section_title
;
 A two-dimensional copper(II) coordination polymer based on
 2,4&#x2032;-oxybis(benzoate) and 4,4&#x2032;-bipyridine
;
_journal_coeditor_code           OV3089
_journal_issue                   7
_journal_name_full
'Acta Crystallographica Section C Structural Chemistry'
_journal_paper_doi               10.1107/S2053229617007537
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac          '[Cu (C14 H8 O5) (C10 H8 N2)], H2 O'
_chemical_formula_moiety         'C24 H16 Cu N2 O5, H2 O1'
_chemical_formula_sum            'C24 H18 Cu N2 O6'
_chemical_formula_weight         493.94
_chemical_name_systematic
;Poly[[(\m-4,4'-bipyridine-\k^2^<i>N</i>,<i>N</i>')(\m-2,4'-oxydibenzoato-\k^4^<i>O</i>^2^,<i>O</i>^2'^:<i>O</i>^4^,<i>O</i>^4'^)copper(II)]
monohydrate]{[Cu(C~14~H~8~O~5~)(C~10~H~8~N~2~)]\\cdotH~2~O
;
_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   mixed
_audit_creation_method           <i>SHELXL2014</i>
_cell_angle_alpha                90
_cell_angle_beta                 100.862(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.731(4)
_cell_length_b                   14.274(5)
_cell_length_c                   13.211(5)
_cell_measurement_reflns_used    2152
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      23.6892
_cell_measurement_theta_min      2.2718
_cell_volume                     2172.5(13)
_computing_cell_refinement
;
SAINT (Bruker, 2000)
;
_computing_data_collection
;
SMART (Bruker, 2000)
;
_computing_data_reduction
;
SAINT (Bruker, 2000)
;
_computing_molecular_graphics
;
DIAMOND (Brandenburg, 1999)
;
_computing_publication_material
;
SHELXL2014 (Sheldrick, 2015b)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0434
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            10779
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_min         2.121
_exptl_absorpt_coefficient_mu    1.050
_exptl_absorpt_correction_T_max  0.802
_exptl_absorpt_correction_T_min  0.737
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2000)
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.510
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1012
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.21
_refine_diff_density_max         0.502
_refine_diff_density_min         -0.333
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     302
_refine_ls_number_reflns         3821
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.0743
_refine_ls_R_factor_gt           0.0419
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0572P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1007
_refine_ls_wR_factor_ref         0.1094
_reflns_number_gt                2612
_reflns_number_total             3821
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ov3089sup1.cif
_cod_data_source_block           I
_cod_original_cell_volume        2172.6(14)
_cod_database_code               2020827
_shelx_hkl_checksum              92272
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_shelxl_version_number           2.014
_cod_database_fobs_code 2020827