4-Carboxylphthalhydrazidate-bridged layered Pb(ii) coordination polymers
Jin, Juan; Jia, Ming-Jun; Peng, Yu; Hou, Qin; Yu, Jie-Hui; Xu, Ji-Qing; CrystEngComm 12 (2010) 1850–; doi:10.1039/b922767a

data_7212221
_publ_section_title
;
 4-Carboxylphthalhydrazidate-bridged layered Pb(ii) coordination polymers
;
_journal_issue                   6
_journal_name_full               CrystEngComm
_journal_page_first              1850
_journal_paper_doi               10.1039/b922767a
_journal_volume                  12
_journal_year                    2010
_chemical_formula_sum            'C27 H24 N6 O19 Pb4'
_chemical_formula_weight         1565.28
_chemical_name_systematic
;
?
;
_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                85.91(3)
_cell_angle_beta                 80.52(3)
_cell_angle_gamma                89.68(3)
_cell_formula_units_Z            2
_cell_length_a                   10.594(2)
_cell_length_b                   10.716(2)
_cell_length_c                   14.990(3)
_cell_measurement_temperature    293(2)
_cell_volume                     1674.2(6)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        PROCESS-AUTO
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.0
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_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  0.0439
_diffrn_reflns_av_sigmaI/netI    0.0574
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            16597
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.11
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    20.149
_exptl_absorpt_correction_T_max  0.5
_exptl_absorpt_correction_T_min  0.1225
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;Higashi, T.(1995).Program for Absorption Correction.
Rigaku Corporation, Tokyo,Japan.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    3.105
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1416
_exptl_crystal_size_max          0.5123
_exptl_crystal_size_mid          0.4265
_exptl_crystal_size_min          0.0892
_refine_diff_density_max         2.616
_refine_diff_density_min         -3.948
_refine_diff_density_rms         0.434
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.113
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     505
_refine_ls_number_reflns         7579
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.113
_refine_ls_R_factor_all          0.0457
_refine_ls_R_factor_gt           0.0384
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0624P)^2^+0.5669P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1060
_refine_ls_wR_factor_ref         0.1105
_reflns_number_gt                6602
_reflns_number_total             7579
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b922767a.txt
_cod_data_source_block           2
_cod_original_cell_volume        1674.1(6)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7212221