Bis(μ-5-carboxybenzene-1,3-dicarboxylato)-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^;κ^3^<i>O</i>^3^:<i>O</i>^1^,<i>O</i>^1'^-bis[(2-phenyl-1,3,7,8-tetraazacyclopenta[<i>l</i>]phenanthrene-κ^2^<i>N</i>^7^,<i>N</i>^8^)lead(II)]
Chen, Jing; Wang, Xiang-Cheng; Li, Chun-Xiang; Acta Crystallographica Section E 66 (2010) m1651–m1652; doi:10.1107/S1600536810045812

data_2228395
_publ_section_title
;
 Bis(\m-5-carboxybenzene-1,3-dicarboxylato)-\k^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^;\k^3^<i>O</i>^3^:<i>O</i>^1^,<i>O</i>^1'^-bis[(2-phenyl-1,3,7,8-tetraazacyclopenta[<i>l</i>]phenanthrene-\k^2^<i>N</i>^7^,<i>N</i>^8^)lead(II)]
;
_journal_coeditor_code           HY2360
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1651
_journal_page_last               m1652
_journal_paper_doi               10.1107/S1600536810045812
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Pb2 (C9 H4 O6)2 (C19 H12 N4)2]'
_chemical_formula_moiety         'C56 H32 N8 O12 Pb2'
_chemical_formula_sum            'C56 H32 N8 O12 Pb2'
_chemical_formula_weight         1423.28
_chemical_name_systematic
;
Bis(\m-5-carboxybenzene-1,3-dicarboxylato)-\k^3^<i>O</i>^1^,<i>O</i>^1'^:
<i>O</i>^3^;\k^3^<i>O</i>^3^:<i>O</i>^1^,<i>O</i>^1'^-bis[(2-phenyl-
1,3,7,8-tetraazacyclopenta[<i>l</i>]phenanthrene-
\k^2^<i>N</i>^7^,<i>N</i>^8^)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                73.820(4)
_cell_angle_beta                 72.754(4)
_cell_angle_gamma                68.680(4)
_cell_formula_units_Z            1
_cell_length_a                   9.2776(3)
_cell_length_b                   11.4409(5)
_cell_length_c                   12.2764(6)
_cell_measurement_reflns_used    6223
_cell_measurement_temperature    292(2)
_cell_measurement_theta_max      29.14
_cell_measurement_theta_min      4.32
_cell_volume                     1137.73(9)
_computing_cell_refinement       'CrysAlis RED (Oxford Diffraction, 2006)'
_computing_data_collection       'CrysAlis CCD (Oxford Diffraction, 2006)'
_computing_data_reduction        'CrysAlis RED (Oxford Diffraction, 2006)'
_computing_molecular_graphics
'SHELXTL (Sheldrick, 2008) and DIAMOND (Brandenburg, 1999)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      292(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Oxford Diffraction Gemini R Ultra CCD'
_diffrn_measurement_method       \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  0.0208
_diffrn_reflns_av_sigmaI/netI    0.0337
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            5399
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         4.33
_exptl_absorpt_coefficient_mu    7.472
_exptl_absorpt_correction_T_max  0.179
_exptl_absorpt_correction_T_min  0.122
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrysAlis RED; Oxford Diffraction, 2006)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.077
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             684
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.23
_refine_diff_density_max         0.824
_refine_diff_density_min         -1.276
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.998
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     352
_refine_ls_number_reflns         3979
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.998
_refine_ls_R_factor_all          0.0282
_refine_ls_R_factor_gt           0.0235
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0349P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0537
_refine_ls_wR_factor_ref         0.0546
_reflns_number_gt                3547
_reflns_number_total             3979
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hy2360.cif
_cod_data_source_block           I
_cod_original_cell_volume        1137.74(9)
_cod_database_code               2228395
_cod_database_fobs_code          2228395