Bis(2,9-dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(nitrato-κ^2^<i>O</i>,<i>O</i>')lead(II)
Shen, Fwu Ming; Lush, Shie Fu; Acta Crystallographica Section E 66 (2010) m805–m806; doi:10.1107/S1600536810022312

data_2226739
_publ_section_title
;
 Bis(2,9-dimethyl-1,10-phenanthroline-\k^2^<i>N</i>,<i>N</i>')bis(nitrato-\k^2^<i>O</i>,<i>O</i>')lead(II)
;
_journal_coeditor_code           XU2779
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m805
_journal_page_last               m806
_journal_paper_doi               10.1107/S1600536810022312
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Pb (N O3)2 (C14 H12 N2)2]'
_chemical_formula_moiety         'C28 H24 N6 O6 Pb'
_chemical_formula_sum            'C28 H24 N6 O6 Pb'
_chemical_formula_weight         747.73
_chemical_name_systematic
;
Bis(2,9-dimethyl-1,10-phenanthroline-\k^2^<i>N</i>,<i>N</i>')bis(nitrato-
\k^2^<i>O</i>,<i>O</i>')lead(II)
;
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.9164(4)
_cell_length_b                   8.01730(10)
_cell_length_c                   16.3575(3)
_cell_measurement_reflns_used    8515
_cell_measurement_temperature    100
_cell_measurement_theta_max      29.03
_cell_measurement_theta_min      2.39
_cell_volume                     2611.90(8)
_computing_cell_refinement       'CrysAlis RED (Oxford Diffraction, 2008)'
_computing_data_collection       'CrysAlis CCD (Oxford Diffraction, 2008)'
_computing_data_reduction        'CrysAlis RED (Oxford Diffraction, 2008)'
_computing_molecular_graphics    'PLATON (Spek, 2009)'
_computing_publication_material  'PLATON (Spek, 2009)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.910
_diffrn_measurement_device_type  'Oxford Diffraction Gemini-S CCD'
_diffrn_measurement_method       \w-scan
_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  0.0296
_diffrn_reflns_av_sigmaI/netI    0.0411
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            13236
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         29.11
_diffrn_reflns_theta_min         2.39
_exptl_absorpt_coefficient_mu    6.516
_exptl_absorpt_correction_T_max  0.458
_exptl_absorpt_correction_T_min  0.286
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrysAlis RED; Oxford Diffraction, 2008)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.902
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1456
_exptl_crystal_size_max          0.320
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.120
_refine_diff_density_max         1.664
_refine_diff_density_min         -0.714
_refine_ls_abs_structure_details 'Flack (1983), 1469 Friedel pairs'
_refine_ls_abs_structure_Flack   0.011(5)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.908
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     375
_refine_ls_number_reflns         5091
_refine_ls_number_restraints     13
_refine_ls_restrained_S_all      0.914
_refine_ls_R_factor_all          0.0300
_refine_ls_R_factor_gt           0.0207
_refine_ls_shift/su_max          0.020
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0200P)^2^]  where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0390
_refine_ls_wR_factor_ref         0.0399
_reflns_number_gt                4126
_reflns_number_total             5091
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            xu2779.cif
_cod_data_source_block           I
_cod_database_code               2226739
_cod_database_fobs_code          2226739