Cu–Organic framework-derived V-doped carbon nanostructures for organic dye removal
Zhang, Xiao-Sa; Zhao, Hong-Tian; Liu, Yu; Li, Wen-Ze; Yang, Ai-Ai; Luan, Jian; Dalton Transactions  (2021) –; doi:10.1039/D1DT03450B

data_7709023
_publ_section_title
;
 Cu--Organic framework-derived V-doped carbon nanostructures for organic
 dye removal
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D1DT03450B
_journal_year                    2021
_chemical_formula_sum            'C28 H22 Cu3 O14'
_chemical_formula_weight         773.07
_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'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-11-13 deposited with the CCDC.	2021-11-18 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 125.569(3)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.9687(4)
_cell_length_b                   29.7669(18)
_cell_length_c                   9.4108(5)
_cell_measurement_reflns_used    1784
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.513
_cell_measurement_theta_min      2.737
_cell_volume                     1360.04(15)
_computing_cell_refinement       'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_data_collection       'Bruker Instrument Service vV6.2.9'
_computing_data_reduction        'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_molecular_graphics    'DIAMOND, Vers. 3.2h (Brandenburg, 2012)'
_computing_publication_material  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0374
_diffrn_reflns_av_unetI/netI     0.0415
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            8763
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.513
_diffrn_reflns_theta_min         2.737
_exptl_absorpt_coefficient_mu    2.402
_exptl_absorpt_correction_T_max  0.576
_exptl_absorpt_correction_T_min  0.567
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            BLUE
_exptl_crystal_density_diffrn    1.888
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             778
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.230
_exptl_crystal_size_min          0.230
_refine_diff_density_max         0.722
_refine_diff_density_min         -1.029
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     213
_refine_ls_number_reflns         2831
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0670
_refine_ls_R_factor_gt           0.0436
_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^)+(0.0522P)^2^+1.5639P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1012
_refine_ls_wR_factor_ref         0.1142
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2065
_reflns_number_total             2831
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d1dt03450b2.cif
_cod_data_source_block           Cu-oba
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7709023
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.596
_shelx_estimated_absorpt_t_max   0.608
_shelx_res_checksum              2730