Synthesis and crystal structure of a two-dimensional Co<sup>II</sup> coordination polymer: poly[(μ<sub>3</sub>-3-carb-oxy-benzoato)[μ<sub>2</sub>-5-(pyridin-4-yl)-1<i>H</i>,2'<i>H</i>-3,3'-bi[1,2,4-triazole]]cobalt(II)].
Du, Chao-Jun; Zhao, Xiao-Na; Chen, Bao-Yong; Acta crystallographica. Section E, Crystallographic communications 73 (2017) 1779–1781; doi:10.1107/S205698901701533X

data_2311502
_publ_section_title
;
 Synthesis and crystal structure of a two-dimensional Co<sup>II</sup>
 coordination polymer:
 poly[(\m<sub>3</sub>-3-carb-oxy-benzoato)[\m<sub>2</sub>-5-(pyridin-4-yl)-1<i>H</i>,2'<i>H</i>-3,3'-bi[1,2,4-triazole]]cobalt(II)].
;
_journal_coeditor_code           KQ2016
_journal_issue                   'Pt 11'
_journal_name_full
'Acta crystallographica. Section E, Crystallographic communications'
_journal_page_first              1779
_journal_page_last               1781
_journal_paper_doi               10.1107/S205698901701533X
_journal_volume                  73
_journal_year                    2017
_chemical_formula_iupac          '[Co (C8 H5 O4) (C9 H6 N7)]'
_chemical_formula_moiety         'C17 H11 Co N7 O4'
_chemical_formula_sum            'C17 H11 Co N7 O4'
_chemical_formula_weight         436.26
_chemical_name_systematic
Poly[(\m~3~-3-carboxybenzoato)[\m~2~-5-(pyridin-4-yl)-1<i>H</i>,2'<i>H</i>-3,3'-bi[1,2,4-triazole]]cobalt(II)]
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     difmap
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/6
_cell_angle_alpha                74.2140(10)
_cell_angle_beta                 84.690(2)
_cell_angle_gamma                82.3030(10)
_cell_formula_units_Z            2
_cell_length_a                   6.5825(5)
_cell_length_b                   9.0574(12)
_cell_length_c                   13.9842(12)
_cell_measurement_reflns_used    1163
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.33
_cell_measurement_theta_min      3.03
_cell_volume                     793.69(14)
_computing_cell_refinement
;
SMART (Bruker, 2008)
;
_computing_data_collection
;
SMART (Bruker, 2008)
;
_computing_data_reduction
;
SAINT (Bruker, 2008)
;
_computing_molecular_graphics
;
SHELXTL (Sheldrick, 2008)
;
_computing_publication_material
;
DIAMOND (Brandenburg & Putz, 2006)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.881
_diffrn_measurement_device_type  'Bruker SMART CCD area detector'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0554
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            5565
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.399
_diffrn_reflns_theta_min         3.033
_exptl_absorpt_coefficient_mu    1.129
_exptl_absorpt_correction_T_max  0.858
_exptl_absorpt_correction_T_min  0.797
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2008)
;
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.825
_exptl_crystal_description       block
_exptl_crystal_F_000             442
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.494
_refine_diff_density_min         -0.592
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     265
_refine_ls_number_reflns         3507
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.093
_refine_ls_R_factor_all          0.1049
_refine_ls_R_factor_gt           0.0608
_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^)+(0.0172P)^2^+0.0319P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0895
_refine_ls_wR_factor_ref         0.1126
_reflns_number_gt                2338
_reflns_number_total             3507
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            kq2016sup1.cif
_cod_data_source_block           I
_cod_database_code               2311502
_shelx_estimated_absorpt_t_min   0.806
_shelx_estimated_absorpt_t_max   0.849
_shelx_hkl_checksum              16096
_shelx_res_checksum              55417
_shelxl_version_number           2014/6