Crystal structure of (2,2'-bipyridine-N,N')bis(2-fluorobenzoato)lead (II), Pb(C~7~H~4~O~2~F)~2~(C~10~H~8~N~2~)
Zhang, B.-S.; Zeitschrift für Kristallographie - New Crystal Structures 221 (2006) 355–356; doi:

data_8102013
_publ_section_title
;
Crystal structure of (2,2'-bipyridine-N,N')bis(2-fluorobenzoato)lead
(II), Pb(C~7~H~4~O~2~F)~2~(C~10~H~8~N~2~)
;
_journal_issue                   3
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              355
_journal_page_last               356
_journal_volume                  221
_journal_year                    2006
_chemical_formula_structural     Pb(C7H4O2F)2(C10H8N2)
_chemical_formula_sum            'C24 H16 F2 N2 O4 Pb'
_chemical_formula_weight         641.58
_chemical_name_systematic
; 
(2,2'-bipyridine-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                82.84(3)
_cell_angle_beta                 85.53(3)
_cell_angle_gamma                70.25(3)
_cell_formula_units_Z            2
_cell_length_a                   9.4943(19)
_cell_length_b                   10.231(2)
_cell_length_c                   11.996(2)
_cell_measurement_temperature    293(2)
_cell_volume                     1087.3(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 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       omega
_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  0.0240
_diffrn_reflns_av_sigmaI/netI    0.0322
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            10774
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.24
_exptl_absorpt_coefficient_mu    7.809
_exptl_crystal_colour            yellowish
_exptl_crystal_density_diffrn    1.959
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             612
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.952
_refine_diff_density_min         -0.797
_refine_diff_density_rms         0.094
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     411
_refine_ls_number_reflns         4241
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0327
_refine_ls_R_factor_gt           0.0273
_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^)+(0.0260P)^2^+2.1000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0604
_refine_ls_wR_factor_ref         0.0626
_reflns_number_gt                4285
_reflns_number_total             4932
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1267-1828.cff
_cod_data_source_block           d
_cod_original_cell_volume        1087.4(4)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               8102013