Crystal structure of (1,10-phenanthroline-N,N')bis(2-fluorobenzoato) lead(II), Pb(FC~6~H~4~COO)~2~(C~12~H~8~N~2~)
B.-S. Zhang; X.-R. Zeng; Y.-Y. Yu; X.-N. Fang; C.-F. Huang; Zeitschrift für Kristallographie - New Crystal Structures 220 (2005) 75–76; doi:

data_8101702
_publ_section_title
;
Crystal structure of (1,10-phenanthroline-N,N')bis(2-fluorobenzoato)
lead(II), Pb(FC~6~H~4~COO)~2~(C~12~H~8~N~2~)
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              75
_journal_page_last               76
_journal_volume                  220
_journal_year                    2005
_chemical_formula_sum            'C26 H16 F2 N2 O4 Pb'
_chemical_formula_weight         665.60
_chemical_name_systematic
; 
 (1,10-phenanthroline-N,N')bis(2-fluorobenzoato)lead(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           SHELXL-97
_cell_angle_alpha                80.90(3)
_cell_angle_beta                 84.41(3)
_cell_angle_gamma                73.36(3)
_cell_formula_units_Z            2
_cell_length_a                   9.4313(19)
_cell_length_b                   10.950(2)
_cell_length_c                   11.609(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1132.5(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker SMART APEX CCD II'
_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  0.0221
_diffrn_reflns_av_sigmaI/netI    0.0292
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            13657
_diffrn_reflns_theta_full        28.29
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         3.33
_exptl_absorpt_coefficient_mu    7.502
_exptl_crystal_colour            yellowish
_exptl_crystal_density_diffrn    1.952
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             636
_exptl_crystal_size_max          0.342
_exptl_crystal_size_mid          0.314
_exptl_crystal_size_min          0.109
_refine_diff_density_max         2.337
_refine_diff_density_min         -1.266
_refine_diff_density_rms         0.131
_refine_ls_extinction_coef       0.0000(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     318
_refine_ls_number_reflns         5570
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0414
_refine_ls_R_factor_gt           0.0346
_refine_ls_shift/su_max          2.073
_refine_ls_shift/su_mean         0.007
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0710P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0948
_refine_ls_wR_factor_ref         0.0984
_reflns_number_gt                4800
_reflns_number_total             5570
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1267-1432.cff
_cod_data_source_block           PbFbenzoato2phen
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               8101702