<i>catena</i>-Poly[[bis(thiocyanato-<i>N</i>)lead(II)]-μ-1,2-bis(4-pyridyl)ethane-<i>N</i>:<i>N</i>']
Niu, Yun-Yin; Hou, Hong-Wei; Zhang, Qian-Feng; Xin, Xin-Quan; Fun, Hoong-Kun; Chantrapromma, Suchada; Razak, Ibrahim Abdul; Acta Crystallographica Section C 57 (2001) 526–527; doi:10.1107/S0108270101002888

data_2011992
_publ_section_title
<i>catena</i>-Poly[[bis(thiocyanato-<i>N</i>)lead(II)]-\m-1,2-bis(4-pyridyl)ethane-<i>N</i>:<i>N</i>']
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              526
_journal_page_last               527
_journal_paper_doi               10.1107/S0108270101002888
_journal_volume                  57
_journal_year                    2001
_chemical_formula_iupac          '[Pb(NCS)2 (C12 H12 N2 )]'
_chemical_formula_moiety         'C14 H12 N4 Pb S2'
_chemical_formula_sum            'C14 H12 N4 Pb S2'
_chemical_formula_weight         507.59
_chemical_name_systematic
;
Catena-[m-1,2-bis(4-pyridyl)ethane-bis-thiocyanato)Lead(II)]
;
_space_group_IT_number           7
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P -2yc'
_symmetry_space_group_name_H-M   'P 1 c 1'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 121.0910(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.63350(10)
_cell_length_b                   5.63090(10)
_cell_length_c                   14.8578(2)
_cell_measurement_reflns_used    5094
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.23
_cell_measurement_theta_min      2.04
_cell_volume                     833.48(2)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXTL
_computing_publication_material
;
SHELXTL, PARST (Nardelli, 1995) and PLATON (Spek, 1990)
;
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 8.33
_diffrn_measured_fraction_theta_full .983
_diffrn_measured_fraction_theta_max .983
_diffrn_measurement_device_type
;
Siemens SMART CCD area detector diffractometer
;
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .0501
_diffrn_reflns_av_sigmaI/netI    .0908
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       3
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            5572
_diffrn_reflns_theta_full        28.23
_diffrn_reflns_theta_max         28.23
_diffrn_reflns_theta_min         2.04
_diffrn_standards_decay_%        negligible
_exptl_absorpt_coefficient_mu    10.369
_exptl_absorpt_correction_T_max  .1023
_exptl_absorpt_correction_T_min  .0422
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.023
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             476
_exptl_crystal_size_max          .42
_exptl_crystal_size_mid          .28
_exptl_crystal_size_min          .22
_refine_diff_density_max         1.378
_refine_diff_density_min         -1.641
_refine_ls_abs_structure_details
'Flack, H. D. (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   .006(9)
_refine_ls_extinction_coef       .0199(10)
_refine_ls_extinction_method     'SHELXTL (Sheldrick, 1997)'
_refine_ls_goodness_of_fit_ref   .923
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     203
_refine_ls_number_reflns         3678
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      .923
_refine_ls_R_factor_all          .0398
_refine_ls_R_factor_gt           .0375
_refine_ls_shift/su_max          .001
_refine_ls_shift/su_mean         .000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .0885
_reflns_number_gt                3398
_reflns_number_total             3678
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            sk1453.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      Pc
_cod_database_code               2011992
_cod_database_fobs_code          2011992