In-MOF-derived ultrathin heteroatom-doped carbon nanosheets for improving oxygen reduction.
Huang, Qi; Guo, Yuanyuan; Wang, Xian; Chai, Lulu; Ding, Junyang; Zhong, Li; Li, Ting-Ting; Hu, Yue; Qian, Jinjie; Huang, Shaoming; Nanoscale 12 (2020) 10019–10025; doi:10.1039/d0nr02007a

data_1557794
_publ_section_title
;
 In-MOF-derived ultrathin heteroatom-doped carbon nanosheets for improving
 oxygen reduction.
;
_journal_issue                   18
_journal_name_full               Nanoscale
_journal_page_first              10019
_journal_page_last               10025
_journal_paper_doi               10.1039/d0nr02007a
_journal_volume                  12
_journal_year                    2020
_chemical_formula_sum            'C10 H2 In N4 O8'
_chemical_formula_weight         420.98
_space_group_crystal_system      cubic
_space_group_IT_number           229
_space_group_name_Hall           '-I 4 2 3'
_space_group_name_H-M_alt        'I m -3 m'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2020-01-17 deposited with the CCDC.	2020-04-15 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            48
_cell_length_a                   31.3413(7)
_cell_length_b                   31.3413(7)
_cell_length_c                   31.3413(7)
_cell_measurement_reflns_used    2768
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      60.9920
_cell_measurement_theta_min      3.9650
_cell_volume                     30785.8(12)
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measurement_device_type  'four-circle diffractometer'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0411
_diffrn_reflns_av_unetI/netI     0.0289
_diffrn_reflns_Laue_measured_fraction_full 0.985
_diffrn_reflns_Laue_measured_fraction_max 0.963
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -12
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_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -35
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_diffrn_reflns_point_group_measured_fraction_full 0.985
_diffrn_reflns_point_group_measured_fraction_max 0.963
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         73.281
_diffrn_reflns_theta_min         3.454
_exptl_absorpt_coefficient_mu    7.644
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.090
_exptl_crystal_description       polyhedron
_exptl_crystal_F_000             9744
_exptl_crystal_size_max          0.600
_exptl_crystal_size_mid          0.500
_exptl_crystal_size_min          0.500
_refine_diff_density_max         0.768
_refine_diff_density_min         -0.584
_refine_diff_density_rms         0.086
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         2848
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_refine_ls_restrained_S_all      1.092
_refine_ls_R_factor_all          0.1028
_refine_ls_R_factor_gt           0.0686
_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^)+(0.1305P)^2^+20.0200P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2160
_refine_ls_wR_factor_ref         0.2453
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1608
_reflns_number_total             2848
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0nr02007a2.cif
_cod_data_source_block           InOF-24
_cod_depositor_comments          'Adding full bibliography for 1557794.cif.'
_cod_original_cell_volume        30786(2)
_cod_database_code               1557794
_shelx_shelxl_version_number     2017/1
_shelx_estimated_absorpt_t_min   0.091
_shelx_estimated_absorpt_t_max   0.115
_shelx_res_checksum              84639
_platon_squeeze_void_probe_radius 1.20