A first new porous d-p HMOF material with multiple active sites for excellent CO<sub>2</sub> capture and catalysis.
Liu, Jiao; Yang, Guo-Ping; Jin, Jing; Wu, Dan; Ma, Lu-Fang; Wang, Yao-Yu; Chemical communications (Cambridge, England) 56 (2020) 2395–2398; doi:10.1039/c9cc09664g

data_7125894
_publ_section_title
;
 A first new porous d-p HMOF material with multiple active sites for
 excellent CO<sub>2</sub> capture and catalysis.
;
_journal_issue                   16
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              2395
_journal_page_last               2398
_journal_paper_doi               10.1039/c9cc09664g
_journal_volume                  56
_journal_year                    2020
_chemical_formula_sum            'C22 H14 N4 O9 Pb Zn'
_chemical_formula_weight         750.93
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-10-24 deposited with the CCDC.	2020-01-24 downloaded from the CCDC.
;
_cell_angle_alpha                112.5250(10)
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_cell_angle_gamma                95.0110(10)
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_cell_measurement_theta_max      25.452
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_cell_volume                     1482.93(11)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      298(2)
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_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0368
_diffrn_reflns_av_unetI/netI     0.0233
_diffrn_reflns_Laue_measured_fraction_full 0.998
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_diffrn_reflns_limit_k_max       14
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_diffrn_reflns_point_group_measured_fraction_full 0.998
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_exptl_absorpt_coefficient_mu    6.527
_exptl_absorpt_correction_T_max  0.521
_exptl_absorpt_correction_T_min  0.321
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.682
_exptl_crystal_description       block
_exptl_crystal_F_000             716
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.100
_platon_squeeze_details
;
;
_refine_diff_density_max         0.834
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_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.0217
_refine_ls_R_factor_gt           0.0204
_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^)+(0.0489P)^2^+0.3503P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0656
_refine_ls_wR_factor_ref         0.0664
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4986
_reflns_number_total             5217
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9cc09664g2.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 7125893--7125894.cif.'
_cod_database_code               7125894
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.341
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_shelx_res_checksum              96226