A two-dimensional Zn^II^ coordination polymer constructed from benzene-1,2,3-tricarboxylic acid and <i>N</i>,<i>N</i>'-bis[(pyridin-4-yl)methylidene]hydrazine
Wang, Xiangfei; Yang, Fang; Tang, Meng; Yuan, Limin; Liu, Wenlong; Acta Crystallographica Section C 71 (2015) –; doi:10.1107/S2053229615010657

data_2019977
_publ_section_title
;
 A two-dimensional Zn^II^ coordination polymer constructed from
 benzene-1,2,3-tricarboxylic acid and
 <i>N</i>,<i>N</i>'-bis[(pyridin-4-yl)methylidene]hydrazine
;
_journal_coeditor_code           FP3012
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2053229615010657
_journal_volume                  71
_journal_year                    2015
_chemical_formula_iupac          '[Zn (C9 H3 O6) (OH) (C12 H10 N4) (H2 O)]'
_chemical_formula_moiety         'C21 H16 N4 O8 Zn2'
_chemical_formula_sum            'C21 H16 N4 O8 Zn2'
_chemical_formula_weight         583.12
_chemical_name_systematic
Poly[aqua(\m~4~-benzene-1,2,3-tricarboxylato)[\m~2~-4,4'-(hydrazine-1,2-diylidenedimethanylylidene)dipyridine](\m~3~-hydroxido)dizinc(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'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                85.003(5)
_cell_angle_beta                 86.125(5)
_cell_angle_gamma                73.369(5)
_cell_formula_units_Z            2
_cell_length_a                   7.622(5)
_cell_length_b                   10.341(5)
_cell_length_c                   13.682(5)
_cell_measurement_reflns_used    2998
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.85
_cell_measurement_theta_min      2.46
_cell_volume                     1028.3(9)
_computing_cell_refinement
;
SAINT (Bruker, 2003)
;
_computing_data_collection
;
APEX2 (Bruker, 2005)
;
_computing_data_reduction
;
SAINT (Bruker, 2003)
;
_computing_molecular_graphics
;
DIAMOND (Brandenburg & Putz, 2005)
;
_computing_publication_material
;
publCIF (Westrip, 2010)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXL2013 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Bruker APEXII CCD area-detector'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0340
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            9072
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.497
_diffrn_reflns_theta_min         2.061
_exptl_absorpt_coefficient_mu    2.394
_exptl_absorpt_correction_T_max  0.391
_exptl_absorpt_correction_T_min  0.380
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2003)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.883
_exptl_crystal_description       block
_exptl_crystal_F_000             588
_exptl_crystal_size_max          0.420
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.390
_refine_diff_density_max         0.371
_refine_diff_density_min         -0.478
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     325
_refine_ls_number_reflns         4626
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.006
_refine_ls_R_factor_all          0.0450
_refine_ls_R_factor_gt           0.0331
_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^)+(0.0368P)^2^+0.5201P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0798
_refine_ls_wR_factor_ref         0.0893
_reflns_number_gt                3722
_reflns_number_total             4626
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            fp3012sup1.cif
_cod_data_source_block           I
_cod_database_code               2019977
_shelx_estimated_absorpt_t_min   0.433
_shelx_estimated_absorpt_t_max   0.455
_shelx_hkl_checksum              10127
_shelx_res_checksum              7718
_shelxl_version_number           2014/7
_cod_database_fobs_code 2019977