<i>catena</i>-Poly[μ-aqua-2:1'κ^2^<i>O</i>:<i>O</i>-aqua-2κ<i>O</i>-(2-fluorobenzoato-1κ^2^<i>O</i>,<i>O</i>')(μ~2~-2-fluorobenzoato-2':1κ^2^<i>O</i>:<i>O</i>')bis(μ~3~-2-fluorobenzoato)-2':1:2κ^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>';1:2:1'κ^5^<i>F</i>,<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>'-dilead(II)]
Zhang, Bi-Song; Acta Crystallographica Section E 64 (2008) m1055–m1056; doi:10.1107/S1600536808022678

data_2219058
_publ_section_title
<i>catena</i>-Poly[\m-aqua-2:1'\k^2^<i>O</i>:<i>O</i>-aqua-2\k<i>O</i>-(2-fluorobenzoato-1\k^2^<i>O</i>,<i>O</i>')(\m~2~-2-fluorobenzoato-2':1\k^2^<i>O</i>:<i>O</i>')bis(\m~3~-2-fluorobenzoato)-2':1:2\k^4^<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>';1:2:1'\k^5^<i>F</i>,<i>O</i>:<i>O</i>,<i>O</i>':<i>O</i>'-dilead(II)]
_journal_coeditor_code           HY2143
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1055
_journal_page_last               m1056
_journal_paper_doi               10.1107/S1600536808022678
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Pb (C7 H4 F O2) (H2 O)]n'
_chemical_formula_moiety         'C14 H10 F2 O5 Pb'
_chemical_formula_sum            'C14 H10 F2 O5 Pb'
_chemical_formula_weight         503.42
_chemical_name_systematic
;<i>catena</i>-Poly[\m-aqua-2:1'\k^2^O:O-aqua-2\kO-(2-fluorobenzoato-
1\k^2^<i>O</i>,<i>O</i>')(\m~2~-2-fluorobenzoato-
2':1\k^2^<i>O</i>:<i>O</i>')bis(\m~3~-2-fluorobenzoato)-
2':1:2\k^4^O:O,O':O';1:2:1'\k^5^F,O:O,O':O'-dilead(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                111.56(3)
_cell_angle_beta                 95.32(3)
_cell_angle_gamma                97.31(3)
_cell_formula_units_Z            4
_cell_length_a                   7.1016(14)
_cell_length_b                   14.794(3)
_cell_length_c                   15.096(3)
_cell_measurement_reflns_used    14100
_cell_measurement_temperature    290(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.01
_cell_volume                     1446.2(6)
_computing_cell_refinement       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_collection       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction        'PROCESS-AUTO (Rigaku, 1998)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      290(2)
_diffrn_detector_area_resol_mean 10
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0276
_diffrn_reflns_av_sigmaI/netI    0.0363
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            14182
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.01
_exptl_absorpt_coefficient_mu    11.708
_exptl_absorpt_correction_T_max  0.223
_exptl_absorpt_correction_T_min  0.082
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.312
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             936
_exptl_crystal_size_max          0.440
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.130
_refine_diff_density_max         3.739
_refine_diff_density_min         -2.479
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     397
_refine_ls_number_reflns         6646
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0487
_refine_ls_R_factor_gt           0.0375
_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^)+(0.0382P)^2^+11.3431P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0885
_refine_ls_wR_factor_ref         0.0939
_reflns_number_gt                5329
_reflns_number_total             6646
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hy2143.cif
_cod_data_source_block           I
_cod_depositor_comments
;

2019-10-22
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C28 H20 F4 O10 Pb2'
_cod_original_formula_weight         1006.84
_cod_original_formula_moiety         'C28 H20 F4 O10 Pb2'
_cod_original_formula_iupac          '[Pb2 (C7 H4 F O2)4 (H2 O)2]'
_cod_original_formula_units_Z            2
_cod_database_code               2219058
_cod_database_fobs_code          2219058