Poly[(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)(μ~3~-4,4'-ethylenedibenzoato-κ^5^<i>O</i>,<i>O</i>':<i>O</i>':<i>O</i>'',<i>O</i>''')(pyrazino[2,3-<i>f</i>][1,10]phenanthroline-κ^2^<i>N</i>^8^,<i>N</i>^9^)lead(II)]
Qiao, Qian; Wu, Guo-Qiang; Tang, Tian-Di; Ng, Seik Weng; Acta Crystallographica Section C 65 (2009) m146–m148; doi:10.1107/S0108270109005253

data_2017048
_publ_section_title
Poly[(<i>N</i>,<i>N</i>-dimethylformamide-\k<i>O</i>)(\m~3~-4,4'-ethylenedibenzoato-\k^5^<i>O</i>,<i>O</i>':<i>O</i>':<i>O</i>'',<i>O</i>''')(pyrazino[2,3-<i>f</i>][1,10]phenanthroline-\k^2^<i>N</i>^8^,<i>N</i>^9^)lead(II)]
_journal_coeditor_code           GG3189
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m146
_journal_page_last               m148
_journal_paper_doi               10.1107/S0108270109005253
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Pb (C16 H10 O4) (C14 H8 N4) (C3 H7 N O)]'
_chemical_formula_moiety         'C33 H25 N5 O5 Pb'
_chemical_formula_sum            'C33 H25 N5 O5 Pb'
_chemical_formula_weight         778.77
_chemical_name_systematic
;
Poly[(<i>N</i>,<i>N</i>-dimethylformamide-\kO)(pyrazino[2,3-
<i>f</i>][1,10]phenanthroline-\k^2^<i>N</i>^8^,<i>N</i>^9^)(\m~3~-ethylene-
4,4'-dibenzoato-\k^5^O,O':O':O'',O''')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           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 102.7510(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.0255(7)
_cell_length_b                   25.5628(19)
_cell_length_c                   12.6422(9)
_cell_measurement_reflns_used    5805
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      25.4
_cell_measurement_theta_min      2.4
_cell_volume                     2844.8(4)
_computing_cell_refinement       'SMART (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        'SAINT (Bruker, 1999)'
_computing_molecular_graphics    'SHELXTL-Plus (Sheldrick, 2008)'
_computing_publication_material  'publCIF (Westrip, 2009)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX'
_diffrn_measurement_method       '\f and \w'
_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  0.0461
_diffrn_reflns_av_sigmaI/netI    0.0551
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            14893
_diffrn_reflns_theta_full        25.39
_diffrn_reflns_theta_max         25.39
_diffrn_reflns_theta_min         1.59
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.984
_exptl_absorpt_correction_T_max  0.4122
_exptl_absorpt_correction_T_min  0.3399
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.818
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1520
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.948
_refine_diff_density_min         -0.922
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     428
_refine_ls_number_reflns         5224
_refine_ls_number_restraints     72
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.0549
_refine_ls_R_factor_gt           0.0385
_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^)+(0.0399P)^2^+4.4812P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0828
_refine_ls_wR_factor_ref         0.0886
_reflns_number_gt                4134
_reflns_number_total             5224
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            gg3189.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2017048
_cod_database_fobs_code          2017048