Bifunctional 3D POM-based coordination polymers for improved pseudocapacitance and catalytic oxidation performance.
Hou, Yujiao; Han, Peilin; Li, Hao; Zhang, Shixing; Qin, Mengge; Zhang, Nan; Fu, Bingbing; Mao, Ruitao; Ge, Suxiang; Dalton transactions (Cambridge, England : 2003) 53 (2024) 1541–1550; doi:10.1039/d3dt03650b

data_7714698
_publ_section_title
;
 Bifunctional 3D POM-based coordination polymers for improved
 pseudocapacitance and catalytic oxidation performance.
;
_journal_issue                   4
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1541
_journal_page_last               1550
_journal_paper_doi               10.1039/d3dt03650b
_journal_volume                  53
_journal_year                    2024
_chemical_formula_sum            'C24 H16 Ag6 Mo12 N20 O40 Si'
_chemical_formula_weight         3051.16
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2023-12-09 deposited with the CCDC.	2023-12-13 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 101.419(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
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_cell_length_c                   12.261(2)
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_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.591
_cell_measurement_theta_min      2.155
_cell_volume                     2937.9(8)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 0.01
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Bruker Smart Apex CCD'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0547
_diffrn_reflns_av_unetI/netI     0.0739
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            17197
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.591
_diffrn_reflns_theta_min         2.155
_exptl_absorpt_coefficient_mu    4.551
_exptl_absorpt_correction_T_max  0.2617
_exptl_absorpt_correction_T_min  0.1748
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    3.449
_exptl_crystal_description       block
_exptl_crystal_F_000             2840
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.200
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
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_refine_ls_number_reflns         6661
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_refine_ls_restrained_S_all      0.986
_refine_ls_R_factor_all          0.0824
_refine_ls_R_factor_gt           0.0491
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0324P)^2^+20.8976P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0913
_refine_ls_wR_factor_ref         0.1027
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4786
_reflns_number_total             6661
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3dt03650b2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7714698--7714700.cif.'
_cod_original_cell_volume        2937.8(8)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7714698
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              2954