Coordination polymer-based supercapacitors with matched energy levels: enhanced capacity under visible light illumination in the presence of methanol.
Tang, Hong An; Zhang, Miao Miao; Gong, Yun; Lin, Jian Hua; Dalton transactions (Cambridge, England : 2003) 47 (2018) 11146–11157; doi:10.1039/c8dt02166j

data_7047047
_publ_section_title
;
 Coordination polymer-based supercapacitors with matched energy levels:
 enhanced capacity under visible light illumination in the presence of
 methanol.
;
_journal_issue                   32
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11146
_journal_page_last               11157
_journal_paper_doi               10.1039/c8dt02166j
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'C18 H26 Cu Mo8 N14 O31'
_chemical_formula_weight         1765.59
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2018-06-25 deposited with the CCDC.
2018-07-13 downloaded from the CCDC.
;
_cell_angle_alpha                94.2560(10)
_cell_angle_beta                 96.6660(10)
_cell_angle_gamma                101.133(2)
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_cell_length_b                   11.9859(9)
_cell_length_c                   13.1421(11)
_cell_measurement_reflns_used    4291
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      26.8332
_cell_measurement_theta_min      2.4782
_cell_volume                     1192.71(16)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0273
_diffrn_reflns_av_unetI/netI     0.0518
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -9
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_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -15
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_exptl_absorpt_coefficient_mu    2.573
_exptl_absorpt_correction_T_max  0.912
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_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    2.458
_exptl_crystal_density_meas      2.458
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             845
_exptl_crystal_size_max          0.29
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_refine_diff_density_max         2.272
_refine_diff_density_min         -1.492
_refine_diff_density_rms         0.165
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     334
_refine_ls_number_reflns         4125
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0443
_refine_ls_R_factor_gt           0.0363
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0460P)^2^+4.8715P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0967
_refine_ls_wR_factor_ref         0.1036
_reflns_number_gt                3502
_reflns_number_total             4125
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c8dt02166j2.cif
_cod_data_source_block           140420f
_cod_depositor_comments
'Adding full bibliography for 7047046--7047047.cif.'
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7047047