[Bis(1<i>H</i>-benzimidazol-2-ylmethyl)amine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']dinitratolead(II)
Zhang, Yong; Xia, Xian-You; Liu, Xu-Qing; Chen, Xue-Mei; Liu, Ting; Acta Crystallographica Section E 63 (2007) m1792–m1792; doi:10.1107/S1600536807025615

data_2214291
_publ_section_title
'[Bis(1<i>H</i>-benzimidazol-2-ylmethyl)amine-\k^3^<i>N</i>,<i>N</i>',<i>N</i>'']dinitratolead(II)'
_journal_coeditor_code           LH2392
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1792
_journal_page_last               m1792
_journal_paper_doi               10.1107/S1600536807025615
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Pb (N O3)2 (C16 H15 N5)]'
_chemical_formula_moiety         'C16 H15 N7 O6 Pb'
_chemical_formula_sum            'C16 H15 N7 O6 Pb'
_chemical_formula_weight         608.54
_chemical_name_systematic
;
[Bis(1<i>H</i>-benzimidazol-2-ylmethyl)amine-\k^3^N,N',N'']dinitratolead(II)
;
_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           SHELXL97
_cell_angle_alpha                98.2960(10)
_cell_angle_beta                 102.8420(10)
_cell_angle_gamma                104.6420(10)
_cell_formula_units_Z            2
_cell_length_a                   8.9865(4)
_cell_length_b                   10.4501(5)
_cell_length_c                   11.3544(5)
_cell_measurement_reflns_used    6445
_cell_measurement_temperature    292(2)
_cell_measurement_theta_max      28.05
_cell_measurement_theta_min      2.43
_cell_volume                     982.88(8)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  PLATON
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area-detector'
_diffrn_measurement_method       '0.3\% wide \w exposures'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine focus sealed Siemens Mo tube'
_diffrn_radiation_type           'Mo k\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0373
_diffrn_reflns_av_sigmaI/netI    0.0509
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            9540
_diffrn_reflns_theta_full        26.50
_diffrn_reflns_theta_max         26.50
_diffrn_reflns_theta_min         1.88
_exptl_absorpt_coefficient_mu    8.633
_exptl_absorpt_correction_T_max  0.4789
_exptl_absorpt_correction_T_min  0.2771
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2001)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.056
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             580
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.790
_refine_diff_density_min         -2.365
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.122
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     271
_refine_ls_number_reflns         4007
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.122
_refine_ls_R_factor_all          0.0483
_refine_ls_R_factor_gt           0.0448
_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^)+(0.0719P)^2^+3.4147P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1195
_refine_ls_wR_factor_ref         0.1263
_reflns_number_gt                3723
_reflns_number_total             4007
_reflns_threshold_expression     I>2s(I)
_cod_data_source_file            lh2392.cif
_cod_data_source_block           I
_cod_database_code               2214291
_cod_database_fobs_code          2214291