Synthesis of two new polyoxometalate-based organic complexes from 2D to 3D structures for improving supercapacitor performance.
Sun, Zhe; Yu, Xiaojing; Zhen, Qingfang; Yu, Tingting; Wang, Xinming; Yang, Guixin; Song, Yongbin; Pang, Haijun; Dalton transactions (Cambridge, England : 2003) 54 (2025) 6093–6102; doi:10.1039/d5dt00284b

data_7718282
_publ_section_title
;
 Synthesis of two new polyoxometalate-based organic complexes from 2D to
 3D structures for improving supercapacitor performance.
;
_journal_issue                   15
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6093
_journal_page_last               6102
_journal_paper_doi               10.1039/d5dt00284b
_journal_volume                  54
_journal_year                    2025
_chemical_formula_moiety         'C48 H40 Ag4 Mo12 N16 O40 P'
_chemical_formula_sum            'C48 H40 Ag4 Mo12 N16 O40 P'
_chemical_formula_weight         3094.69
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_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2024-12-23 deposited with the CCDC.	2025-03-10 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_angle_gamma                90
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_cell_length_c                   20.1601(14)
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_cell_measurement_theta_max      25.000
_cell_measurement_theta_min      7.5
_cell_volume                     7431.7(9)
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
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_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
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_diffrn_reflns_av_R_equivalents  0.0247
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_diffrn_reflns_Laue_measured_fraction_full 0.973
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_diffrn_reflns_point_group_measured_fraction_full 0.973
_diffrn_reflns_point_group_measured_fraction_max 0.997
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_diffrn_reflns_theta_max         25.027
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_exptl_absorpt_coefficient_mu    3.102
_exptl_crystal_colour            orange
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_exptl_crystal_description       block
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_refine_diff_density_min         -1.270
_refine_diff_density_rms         0.162
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     566
_refine_ls_number_reflns         6549
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.0664
_refine_ls_R_factor_gt           0.0492
_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^)+(0.0548P)^2^+201.8610P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1214
_refine_ls_wR_factor_ref         0.1330
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5164
_reflns_number_total             6565
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5dt00284b2.cif
_cod_data_source_block           YY
_cod_depositor_comments
'Adding full bibliography for 7718281--7718282.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7718282
_shelxl_version_number           2014-3
_shelx_res_checksum              83494
_shelx_hkl_checksum              10307