Poly[di-μ~2~-chlorido(μ~2~-1,3-di-4-pyridylpropane-κ^2^<i>N</i>:<i>N</i>')lead(II)]
Fu, Zhiyong; Su, Dongpo; Song, Desheng; Acta Crystallographica Section E 65 (2009) m1220–; doi:10.1107/S1600536809036150

data_2223515
_publ_section_title
Poly[di-\m~2~-chlorido(\m~2~-1,3-di-4-pyridylpropane-\k^2^<i>N</i>:<i>N</i>')lead(II)]
_journal_coeditor_code           PB2006
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1220
_journal_paper_doi               10.1107/S1600536809036150
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Pb Cl2 (C13 H14 N2)]'
_chemical_formula_moiety         'C13 H14 Cl2 N2 Pb'
_chemical_formula_sum            'C13 H14 Cl2 N2 Pb'
_chemical_formula_weight         476.35
_chemical_melting_point          533.15
_chemical_name_common
Catena-(u2-(1,3-bis(4-pyridyl))propane)-bis(u2-chloro)-lead(II)
_chemical_name_systematic
;
\
<i>catena</i>-Poly[[\m~2~-<i>N</i>,<i>N</i>'-1,3-bis(4-pyridyl)propane]\
bis(\m~2~-chlorido)]lead(II)
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_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                 97.65(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   4.385(2)
_cell_length_b                   15.455(3)
_cell_length_c                   10.935(2)
_cell_measurement_reflns_used    1283
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.02
_cell_measurement_theta_min      2.64
_cell_volume                     734.5(4)
_computing_cell_refinement
;
SMART (Bruker, 1996) and SAINT (Bruker, 1996)'
;
_computing_data_collection       'SMART (Bruker, 1996)'
_computing_data_reduction        'SHELXTL (Sheldrick, 2008)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.954
_diffrn_measured_fraction_theta_max 0.954
_diffrn_measurement_device_type  'Bruker SMART CCD'
_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  0.0334
_diffrn_reflns_av_sigmaI/netI    0.0551
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            2401
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.64
_diffrn_standards_interval_time  20s
_exptl_absorpt_coefficient_mu    11.840
_exptl_absorpt_correction_T_max  0.277
_exptl_absorpt_correction_T_min  0.139
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.155
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             444
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.881
_refine_diff_density_min         -1.159
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     88
_refine_ls_number_reflns         1283
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          0.0424
_refine_ls_R_factor_gt           0.0329
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0359P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0730
_refine_ls_wR_factor_ref         0.0772
_reflns_number_gt                1109
_reflns_number_total             1283
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            pb2006.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '533.15K' was changed to '533.15' -
the value should be numeric and without a unit designator.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_chemical_melting_point' value '533.15K' was changed to '533.15' -
the value should be numeric and without a unit designator.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        734.5(3)
_cod_original_sg_symbol_Hall     -P2yb
_cod_original_sg_symbol_H-M      P21/m
_cod_database_code               2223515