Crystal structure of tatrakis(1,10-phenanthroline)fumaratodilead(II) nitrate, [Pb2(C12H8N2)4(C4H2O4)](NO3)2
Yan-Ling Niu; Xiu-Mei Li; Qing-Wei Wang; Zeitschrift für Kristallographie - New Crystal Structures 225 (2010) 164–; doi:

data_8102658
_publ_section_title
;
 Crystal structure of tatrakis(1,10-phenanthroline)fumaratodilead(II)
 nitrate, [Pb2(C12H8N2)4(C4H2O4)](NO3)2
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              164
_journal_volume                  225
_journal_year                    2010
_chemical_formula_moiety         'C52 H34 N8 O4 Pb2, 2(N O3)'
_chemical_formula_sum            'C52 H34 N10 O10 Pb2'
_chemical_formula_weight         1373.27
_chemical_name_systematic
;
bis(1,10-phenanthroline)-fumarate-lead(II) 
nitrate, [Pb(C~12~H~8~N~2~)~2~(C~4~H~2~O~4~)~0.5~]~2~.2NO~3~
;
_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                96.754(3)
_cell_angle_beta                 109.392(2)
_cell_angle_gamma                100.347(3)
_cell_formula_units_Z            1
_cell_length_a                   9.0544(19)
_cell_length_b                   11.520(2)
_cell_length_c                   12.019(3)
_cell_measurement_reflns_used    4050
_cell_measurement_temperature    292(2)
_cell_measurement_theta_max      26.00
_cell_measurement_theta_min      1.83
_cell_volume                     1141.9(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      292(2)
_diffrn_detector_area_resol_mean 'Bruker CCD diffractometer'
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_device_type  MoK\a
_diffrn_measurement_method       'sealed tube'
_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  0.0134
_diffrn_reflns_av_sigmaI/netI    0.0249
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            6412
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.83
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         'w\ scan'
_exptl_absorpt_coefficient_mu    7.439
_exptl_absorpt_correction_T_max  0.644
_exptl_absorpt_correction_T_min  0.255
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.997
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             660
_exptl_crystal_size_max          0.238
_exptl_crystal_size_mid          0.157
_exptl_crystal_size_min          0.059
_refine_diff_density_max         1.639
_refine_diff_density_min         -0.904
_refine_diff_density_rms         0.108
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     334
_refine_ls_number_reflns         4373
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0294
_refine_ls_R_factor_gt           0.0270
_refine_ls_shift/su_max          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^)+(0.0475P)^2^+0.4667P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0696
_refine_ls_wR_factor_ref         0.0708
_reflns_number_gt                4082
_reflns_number_total             4373
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1267-2905.cff
_cod_data_source_block           2
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               8102658