Synthesis, crystal structures and characterizations of two homochiral coordination polymers based on a chiral reduced Schiff base ligand
Ying, Shao-Ming; Huang, Xiao-Hui; Luo, Wu-Kui; Xiao, Yan-Chun; Acta Crystallographica Section C 70 (2014) 375–378; doi:10.1107/S2053229614005762

data_2019460
_publ_section_title
;
 Synthesis, crystal structures and characterizations of two homochiral
 coordination polymers based on a chiral reduced Schiff base ligand
;
_journal_coeditor_code           QS3037
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              375
_journal_page_last               378
_journal_paper_doi               10.1107/S2053229614005762
_journal_volume                  70
_journal_year                    2014
_chemical_formula_iupac          '[Zn (C17 H15 N O4)]'
_chemical_formula_moiety         'C17 H15 N O4 Zn'
_chemical_formula_sum            'C17 H15 N O4 Zn'
_chemical_formula_weight         362.67
_chemical_name_systematic
;
poly[(\m~5~-4-{[(1-carboxylato-2-phenylethyl)amino]methyl}benzoato)zinc(II)]
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   5.6649(11)
_cell_length_b                   14.196(3)
_cell_length_c                   19.148(4)
_cell_measurement_temperature    123(2)
_cell_volume                     1539.9(5)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2004)'
_computing_molecular_graphics    'SHELXL97 (Sheldrick, 2008)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measurement_device_type  'Bruker APEX CCD area-detector'
_diffrn_measurement_method       \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  0.0805
_diffrn_reflns_av_sigmaI/netI    0.1419
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            5970
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.79
_exptl_absorpt_coefficient_mu    1.614
_exptl_absorpt_correction_T_max  0.8817
_exptl_absorpt_correction_T_min  0.8552
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2004)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.564
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             744
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.867
_refine_diff_density_min         -0.694
_refine_ls_abs_structure_details 'Flack (1983), with 1184 Friedel pairs'
_refine_ls_abs_structure_Flack   -0.01(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.835
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     208
_refine_ls_number_reflns         2901
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.835
_refine_ls_R_factor_all          0.0755
_refine_ls_R_factor_gt           0.0516
_refine_ls_shift/su_max          0.019
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0124P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0714
_refine_ls_wR_factor_ref         0.0780
_reflns_number_gt                2069
_reflns_number_total             2901
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            qs3037sup1.cif
_cod_data_source_block           1
_cod_database_code               2019460
_cod_database_fobs_code          2019460