<i>catena</i>-Poly[[(liriodenine-κ^2^<i>N</i>,<i>O</i>)lead(II)]-di-μ-chlorido]
Qin, Yan-Tao; Tao, Lu; He, Tian-Jing; Liu, Yan-Cheng; Chen, Zhen-Feng; Acta Crystallographica Section E 66 (2010) m29–; doi:10.1107/S1600536809051381

data_2224819
_publ_section_title
<i>catena</i>-Poly[[(liriodenine-\k^2^<i>N</i>,<i>O</i>)lead(II)]-di-\m-chlorido]
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m29
_journal_paper_doi               10.1107/S1600536809051381
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Pb Cl2 (C17 H9 N O3)]'
_chemical_formula_moiety         'C17 H9 Cl2 N O3 Pb'
_chemical_formula_sum            'C17 H9 Cl2 N O3 Pb'
_chemical_formula_weight         553.34
_chemical_name_systematic
;
<i>catena</i>-Poly[[(liriodenine-\k^2^<i>N</i>,<i>O</i>)lead(II)]-
di-\m-chlorido]
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                104.481(6)
_cell_angle_beta                 100.479(4)
_cell_angle_gamma                99.686(4)
_cell_formula_units_Z            2
_cell_length_a                   7.2280(18)
_cell_length_b                   10.332(3)
_cell_length_c                   11.307(3)
_cell_measurement_reflns_used    3068
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.3
_cell_measurement_theta_min      3.1
_cell_volume                     783.4(4)
_computing_cell_refinement       'CrystalClear (Rigaku, 1999)'
_computing_data_collection       'CrystalClear (Rigaku, 1999)'
_computing_data_reduction
'CrystalStructure (Rigaku/MSC & Rigaku, 2000)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Rigaku Mercury CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.040
_diffrn_reflns_av_sigmaI/netI    0.053
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            7685
_diffrn_reflns_theta_full        25.3
_diffrn_reflns_theta_max         25.3
_diffrn_reflns_theta_min         3.1
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    11.125
_exptl_absorpt_correction_T_max  0.188
_exptl_absorpt_correction_T_min  0.077
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(REQAB; Jacobson, 1998)'
_exptl_crystal_colour            brown-red
_exptl_crystal_density_diffrn    2.346
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             516
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.19
_refine_diff_density_min         -1.28
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.05
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     218
_refine_ls_number_reflns         2847
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.05
_refine_ls_R_factor_all          0.039
_refine_ls_R_factor_gt           0.033
_refine_ls_shift/su_max_lt       0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0269P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.063
_refine_ls_wR_factor_ref         0.065
_reflns_number_gt                2545
_reflns_number_total             2847
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ya2112.cif
_cod_data_source_block           I
_cod_original_cell_volume        783.4(3)
_cod_database_code               2224819
_cod_database_fobs_code          2224819