<i>catena</i>-Poly[[(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')lead(II)]-di-μ-bromido]
Sabour, Behrous; Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng; Acta Crystallographica Section E 68 (2012) m729–; doi:10.1107/S160053681201940X

data_2234928
_publ_section_title
;
 <i>catena</i>-Poly[[(2,9-dimethyl-1,10-phenanthroline-\k^2^<i>N</i>,<i>N</i>')lead(II)]-di-\m-bromido]
;
_journal_coeditor_code           BT5905
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m729
_journal_paper_doi               10.1107/S160053681201940X
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Pb Br2 (C14 H12 N2)]'
_chemical_formula_moiety         'C14 H12 Br2 N2 Pb'
_chemical_formula_sum            'C14 H12 Br2 N2 Pb'
_chemical_formula_weight         575.27
_chemical_name_systematic
;
<i>catena</i>-Poly[[(2,9-dimethyl-1,10-phenanthroline-
\k^2^<i>N</i>,<i>N</i>')lead(II)]-di-\m-bromido]
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 112.346(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.3852(13)
_cell_length_b                   11.8312(5)
_cell_length_c                   7.4609(5)
_cell_measurement_reflns_used    2739
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.4987
_cell_measurement_theta_min      2.3906
_cell_volume                     1501.02(18)
_computing_cell_refinement       'CrysAlis PRO (Agilent, 2012)'
_computing_data_collection       'CrysAlis PRO (Agilent, 2012)'
_computing_data_reduction        'CrysAlis PRO (Agilent, 2012)'
_computing_molecular_graphics    'X-SEED (Barbour, 2001)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 10.4041
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type
'Agilent SuperNova Dual diffractometer with an Atlas detector'
_diffrn_measurement_method       '\w scan'
_diffrn_radiation_monochromator  Mirror
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0320
_diffrn_reflns_av_sigmaI/netI    0.0383
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            4947
_diffrn_reflns_theta_full        27.56
_diffrn_reflns_theta_max         27.56
_diffrn_reflns_theta_min         2.40
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    16.551
_exptl_absorpt_correction_T_max  0.4916
_exptl_absorpt_correction_T_min  0.1903
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrysAlis PRO; Agilent, 2012)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.546
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1048
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.432
_refine_diff_density_min         -1.452
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     88
_refine_ls_number_reflns         1734
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.011
_refine_ls_R_factor_all          0.0279
_refine_ls_R_factor_gt           0.0255
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0298P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0571
_refine_ls_wR_factor_ref         0.0584
_reflns_number_gt                1620
_reflns_number_total             1734
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt5905.cif
_cod_data_source_block           I
_cod_original_cell_volume        1501.02(16)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2234928
_cod_database_fobs_code          2234928