Ternary Cross-Vanadium Tetra-Capped POMOFs@PPy/RGO Nanocomposites with Hybrid Battery-Supercapacitor Behavior for Enhancing Lithium Battery Storage
Yang, Xiya; Sha, Jingquan; Li, Wenjing; Tan, Zenglong; Hou, Liran; Jiang, Jianzhuang; ACS Sustainable Chemistry & Engineering 8 (2020) 4667–4675; doi:10.1021/acssuschemeng.0c01162

data_4517486
_publ_section_title
;
 Ternary Cross-Vanadium Tetra-Capped POMOFs@PPy/RGO Nanocomposites with
 Hybrid Battery-Supercapacitor Behavior for Enhancing Lithium Battery
 Storage
;
_journal_issue                   11
_journal_name_full               'ACS Sustainable Chemistry &amp; Engineering'
_journal_page_first              4667
_journal_page_last               4675
_journal_paper_doi               10.1021/acssuschemeng.0c01162
_journal_volume                  8
_journal_year                    2020
_chemical_formula_moiety         'C16 H16 Cl Cu12 Mo12 N24 O47 P V3'
_chemical_formula_sum            'C16 H16 Cl Cu12 Mo12 N24 O47 P V3'
_chemical_formula_weight         3429.65
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-C 2y'
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_cell_angle_alpha                90
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_cell_angle_gamma                90
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_cell_length_c                   14.563(3)
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_cell_measurement_theta_min      1.962
_cell_volume                     3139.6(9)
_computing_cell_refinement       'Bruker XSCANS'
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
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_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0211
_diffrn_reflns_Laue_measured_fraction_full 0.998
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_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -18
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_diffrn_reflns_limit_k_min       -16
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_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            7982
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_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         1.962
_diffrn_source                   'sealed tube'
_exptl_absorpt_coefficient_mu    6.882
_exptl_absorpt_correction_T_max  0.179
_exptl_absorpt_correction_T_min  0.051
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick,1996)'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    3.628
_exptl_crystal_description       block
_exptl_crystal_F_000             3218
_exptl_crystal_size_max          0.7
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_refine_diff_density_max         3.216
_refine_diff_density_min         -2.972
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_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     281
_refine_ls_number_reflns         2893
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.0710
_refine_ls_R_factor_gt           0.0642
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1181P)^2^+135.8597P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1966
_refine_ls_wR_factor_ref         0.2029
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2523
_reflns_number_total             2899
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            sc0c01162_si_002.cif
_cod_data_source_block           1
_cod_depositor_comments
;Adding full bibliography for 4517486--4517487.cif.

 Adding full bibliography for 4517486--4517487.cif.
;
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               4517486
_shelx_shelxl_version_number     2014/7
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_shelx_hkl_checksum              81483