Two polymorphs of a lead(II) complex with 8-hydroxy-2-methylquinoline and thiocyanate
Mohammadnezhad, Gholamhossein; Amini, Mostafa M.; Langer, Vratislav; Acta Crystallographica Section C 66 (2010) m44–m47; doi:10.1107/S010827011000096X

data_2017520
_publ_section_title
;
 Two polymorphs of a lead(II) complex with 8-hydroxy-2-methylquinoline
 and thiocyanate
;
_journal_coeditor_code           SF3124
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m44
_journal_page_last               m47
_journal_paper_doi               10.1107/S010827011000096X
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Pb2 (C10 H8 N O)2 (N C S)2]'
_chemical_formula_moiety         'C22 H16 N4 O2 Pb2 S2'
_chemical_formula_sum            'C22 H16 N4 O2 Pb2 S2'
_chemical_formula_weight         846.89
_chemical_name_systematic
;
bis(\m~2~-methylquinolin-8-olato-\k^3^<i>N</i>,<i>O</i>:<i>O</i>;
\k^3^<i>O</i>:<i>N</i>,<i>O</i>)bis[(thiocyanato-\k<i>N</i>)lead(II)]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 90.368(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.037(5)
_cell_length_b                   5.731(2)
_cell_length_c                   16.327(6)
_cell_measurement_reflns_used    2817
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.51
_cell_measurement_theta_min      2.49
_cell_volume                     1126.3(7)
_computing_cell_refinement       'SAINT (Bruker, 2003)'
_computing_data_collection       'SMART (Bruker, 2003)'
_computing_data_reduction
;
SAINT (Bruker, 2003) and SADABS (Sheldrick, 2003)
;
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2009)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_device_type  'Siemens SMART 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  0.0776
_diffrn_reflns_av_sigmaI/netI    0.0739
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            12903
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         31.02
_diffrn_reflns_theta_min         2.49
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    15.141
_exptl_absorpt_correction_T_max  0.7516
_exptl_absorpt_correction_T_min  0.1024
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.497
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             776
_exptl_crystal_size_max          0.96
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_refine_diff_density_max         2.419
_refine_diff_density_min         -3.272
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     146
_refine_ls_number_reflns         3502
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.012
_refine_ls_R_factor_all          0.0659
_refine_ls_R_factor_gt           0.0381
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0396P)^2^+0.1320P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0823
_refine_ls_wR_factor_ref         0.0898
_reflns_number_gt                2528
_reflns_number_total             3502
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sf3124.cif
_cod_data_source_block           Ib
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2017520
_cod_database_fobs_code          2017520