Poly[aqua(μ-pyrazine-2-carboxylato-κ^3^<i>N</i>,<i>O</i>:<i>O</i>)(μ-pyrazine-2-carboxylato-κ^3^<i>N</i>,<i>O</i>:<i>O</i>')lead(II)]
Starosta, Wojciech; Leciejewicz, Janusz; Acta Crystallographica Section E 66 (2010) m525–m526; doi:10.1107/S1600536810013188

data_2225854
_publ_section_title
;
 Poly[aqua(\m-pyrazine-2-carboxylato-\k^3^<i>N</i>,<i>O</i>:<i>O</i>)(\m-pyrazine-2-carboxylato-\k^3^<i>N</i>,<i>O</i>:<i>O</i>')lead(II)]
;
_journal_coeditor_code           HB5383
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m525
_journal_page_last               m526
_journal_paper_doi               10.1107/S1600536810013188
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Pb (C5 H3 N2 O2)2 (H2 O)]'
_chemical_formula_moiety         'C10 H8 N4 O5 Pb'
_chemical_formula_sum            'C10 H8 N4 O5 Pb'
_chemical_formula_weight         471.39
_chemical_name_common            'Lead pyrazinate monohydrate'
_chemical_name_systematic
;
Poly[aqua(\m-pyrazine-2-carboxylato-\k^3^<i>N</i>,<i>O</i>:<i>O</i>)(\m-
pyrazine-2-carboxylato-\k^3^<i>N</i>,<i>O</i>:<i>O</i>')lead(II)]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 114.13(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.098(2)
_cell_length_b                   10.382(2)
_cell_length_c                   11.678(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      15
_cell_measurement_theta_min      6
_cell_volume                     1228.0(5)
_computing_cell_refinement       'KM-4 software (Kuma, 1996)'
_computing_data_collection       'KM-4 software (Kuma, 1996)'
_computing_data_reduction        'DATAPROC (Kuma, 2001)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.960
_diffrn_measured_fraction_theta_max 0.939
_diffrn_measurement_device_type  'Kuma KM-4 four-circle diffractometer'
_diffrn_measurement_method       'profile data from \w/2\q scans'
_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  0.0513
_diffrn_reflns_av_sigmaI/netI    0.0525
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            3579
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         30.12
_diffrn_reflns_theta_min         2.01
_diffrn_standards_decay_%        20.24
_diffrn_standards_interval_count 200
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    13.766
_exptl_absorpt_correction_T_max  0.251
_exptl_absorpt_correction_T_min  0.135
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   '(CrysAlis RED; Oxford Diffraction, 2008)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.550
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       blocks
_exptl_crystal_F_000             872
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_refine_diff_density_max         6.450
_refine_diff_density_min         -5.858
_refine_ls_extinction_coef       0.0154(12)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXTL (Sheldrick, 2008)'
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     188
_refine_ls_number_reflns         3411
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0999
_refine_ls_R_factor_gt           0.0578
_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^)+(0.1217P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1436
_refine_ls_wR_factor_ref         0.1631
_reflns_number_gt                2230
_reflns_number_total             3411
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb5383.cif
_cod_data_source_block           I
_cod_original_cell_volume        1228.0(4)
_cod_original_sg_symbol_Hall     ' -P 2ybc'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2225854
_cod_database_fobs_code          2225854