Lead-Based Metal-Organic Framework with Stable Lithium Anodic Performance.
Hu, Lei; Lin, Xiao-Ming; Mo, Jun-Ting; Lin, Jia; Gan, Han-Lin; Yang, Xiao-Ling; Cai, Yue-Peng; Inorganic chemistry 56 (2017) 4289–4295; doi:10.1021/acs.inorgchem.6b02663

data_4345797
_publ_section_title
;
 Lead-Based Metal-Organic Framework with Stable Lithium Anodic
 Performance.
;
_journal_issue                   8
_journal_name_full               'Inorganic chemistry'
_journal_page_first              4289
_journal_page_last               4295
_journal_paper_doi               10.1021/acs.inorgchem.6b02663
_journal_volume                  56
_journal_year                    2017
_chemical_formula_moiety         'C24 H16 N2 O6 Pb'
_chemical_formula_sum            'C24 H16 N2 O6 Pb'
_chemical_formula_weight         635.58
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_cell_angle_alpha                90
_cell_angle_beta                 97.172(6)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.1289(13)
_cell_length_b                   21.8101(15)
_cell_length_c                   7.6470(3)
_cell_measurement_reflns_used    3986
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      25.99
_cell_measurement_theta_min      3.08
_cell_volume                     3165.4(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0536
_diffrn_reflns_av_unetI/netI     0.0536
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            8204
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.099
_diffrn_reflns_theta_max         25.099
_diffrn_reflns_theta_min         2.845
_exptl_absorpt_coefficient_mu    5.360
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.5612
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.334
_exptl_crystal_description       rod-like
_exptl_crystal_F_000             1216
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.964
_refine_diff_density_min         -0.807
_refine_diff_density_rms         0.120
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     150
_refine_ls_number_reflns         2820
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0296
_refine_ls_R_factor_gt           0.0268
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0259P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0587
_refine_ls_wR_factor_ref         0.0605
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2607
_reflns_number_total             2820
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ic6b02663_si_002.cif
_cod_data_source_block           1
_cod_database_code               4345797
_shelx_shelxl_version_number     2016/6
_shelx_res_checksum              3855
_shelx_hkl_checksum              85377
_platon_squeeze_void_probe_radius 1.20