A new Zn(II) coordination polymer with 4-pyridylthioacetate: assemblies of homo-chiral helices with sulfide sites.
Kondo, Mitsuru; Miyazawa, Makoto; Irie, Yasuhiko; Shinagawa, Reiko; Horiba, Tomonori; Nakamura, Akira; Naito, Tetsuyoshi; Maeda, Kenji; Utsuno, Shunji; Uchida, Fumio; Chemical communications (Cambridge, England)  (2002) 2156–2157; doi:10.1039/b205866a

data_7125566
_publ_section_title
;
 A new Zn(II) coordination polymer with 4-pyridylthioacetate: assemblies
 of homo-chiral helices with sulfide sites.
;
_journal_issue                   18
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              2156
_journal_page_last               2157
_journal_paper_doi               10.1039/b205866a
_journal_year                    2002
_chemical_formula_moiety         'C7 H7 N O3 S Zn '
_chemical_formula_sum            'C7 H7 N O3 S Zn'
_chemical_formula_weight         250.58
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.445(6)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.099(5)
_cell_length_b                   5.098(2)
_cell_length_c                   10.075(5)
_cell_measurement_reflns_used    1648
_cell_measurement_temperature    293.2
_cell_measurement_theta_max      13.7
_cell_measurement_theta_min      2.0
_cell_volume                     443.3(4)
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    QTAN
_diffrn_detector_area_resol_mean 14.62
_diffrn_measured_fraction_theta_full 0.9805
_diffrn_measured_fraction_theta_max 0.9805
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.082
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            3372
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    2.975
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.877
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cubic
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.84
_refine_diff_density_min         -0.91
_refine_ls_abs_structure_Flack   -0.07(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.949
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     118
_refine_ls_number_reflns         1089
_refine_ls_R_factor_gt           0.0610
_refine_ls_shift/su_max          0.0003
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00076|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0821
_reflns_number_gt                1089
_reflns_number_total             1107
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b205866a.txt
_cod_data_source_block           '_50-010610A'
_cod_original_cell_volume        443.4(3)
_cod_original_formula_sum        'C7 H7 N O3 S Zn '
_cod_database_code               7125566