3D nanocrystalline metal-organic framework materials for the improved output performance of triboelectric nanogenerators.
Gao, Kexin; Chen, Junshuai; Zhao, Mengting; Hu, Rentang; Chen, Shiheng; Xue, Xiaojing; Shao, Zhichao; Hou, Hongwei; Dalton transactions (Cambridge, England : 2003) 52 (2023) 444–451; doi:10.1039/d2dt03477h

data_7711875
_publ_section_title
;
 3D nanocrystalline metal-organic framework materials for the improved
 output performance of triboelectric nanogenerators.
;
_journal_issue                   2
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              444
_journal_page_last               451
_journal_paper_doi               10.1039/d2dt03477h
_journal_volume                  52
_journal_year                    2023
_chemical_formula_moiety         'C11 H7 Cd0.5 N O4'
_chemical_formula_sum            'C11 H7 Cd0.5 N O4'
_chemical_formula_weight         273.39
_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'
_symmetry_Int_Tables_number      14
_audit_creation_date             2019-06-06
_audit_creation_method
;
Olex2 1.2-beta
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2022-10-17 deposited with the CCDC.	2022-12-05 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 93.757(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.6802(7)
_cell_length_b                   15.507(2)
_cell_length_c                   12.8345(17)
_cell_measurement_reflns_used    5763
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.56
_cell_measurement_theta_min      2.63
_cell_volume                     929.5(2)
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine (Bourhis et al., 2015)'
_diffrn_ambient_temperature      293.15
_diffrn_measured_fraction_theta_full 0.9921
_diffrn_measured_fraction_theta_max 0.9921
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0561
_diffrn_reflns_av_unetI/netI     0.0430
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            13107
_diffrn_reflns_theta_full        27.6335
_diffrn_reflns_theta_max         27.63
_diffrn_reflns_theta_min         2.06
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.235
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6011
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0905 before and 0.0666 after correction.
The Ratio of minimum to maximum transmission is 0.8062.
The \l/2 correction factor is Not present.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.9535
_exptl_crystal_description       block
_exptl_crystal_F_000             542.6902
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.7206
_refine_diff_density_min         -1.0133
_refine_diff_density_rms         0.2012
_refine_ls_d_res_high            0.7662
_refine_ls_d_res_low             9.8746
_refine_ls_goodness_of_fit_ref   1.0764
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    13
_refine_ls_number_parameters     151
_refine_ls_number_reflns         2142
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.0764
_refine_ls_R_factor_all          0.0600
_refine_ls_R_factor_gt           0.0398
_refine_ls_shift/su_max          0.0000
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0607P)^2^+1.1203P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0999
_refine_ls_wR_factor_ref         0.1091
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              6
_reflns_limit_h_min              -6
_reflns_limit_k_max              20
_reflns_limit_k_min              0
_reflns_limit_l_max              16
_reflns_limit_l_min              0
_reflns_number_gt                1633
_reflns_number_total             2142
_reflns_threshold_expression     I>=2u(I)
_cod_data_source_file            d2dt03477h2.cif
_cod_data_source_block           mo_180629c_0m_a
_cod_depositor_comments          'Adding full bibliography for 7711875.cif.'
_cod_database_code               7711875
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C8(H8a,H8b)
2.b Aromatic/amide H refined with riding coordinates:
 C6(H6), C7(H7), C4(H4), C11(H11), C10(H10)
;
_olex2_submission_special_instructions 'No special instructions were received'