Mg<sup>2+</sup> incorporated Co-based MOF precursors for hierarchical CNT-containing porous carbons with ORR activity.
Wu, Zhao-Feng; Tan, Bin; Ma, Wen; Xiong, Wei-Wei; Xie, Zai-Lai; Huang, Xiao-Ying; Dalton transactions (Cambridge, England : 2003) 47 (2018) 2810–2819; doi:10.1039/c7dt04354f

data_7045362
_publ_section_title
;
 Mg<sup>2+</sup> incorporated Co-based MOF precursors for hierarchical
 CNT-containing porous carbons with ORR activity.
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2810
_journal_page_last               2819
_journal_paper_doi               10.1039/c7dt04354f
_journal_volume                  47
_journal_year                    2018
_chemical_formula_sum            'C79 H99 Co3 N7 O25'
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_symmetry_space_group_name_Hall  '-P 2a 2bc'
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_audit_update_record
;
2017-11-06 deposited with the CCDC.
2018-01-24 downloaded from the CCDC.
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CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.66 (release 28-04-2010 CrysAlis171 .NET)
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CrysAlisPro, Oxford Diffraction Ltd.,
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CrysAlisPro, Oxford Diffraction Ltd.,
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_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_diffrn_ambient_temperature      295(2)
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_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.880
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.957
_diffrn_reflns_theta_min         2.398
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_exptl_absorpt_correction_T_max  1.00000
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CrysAlisPro, Oxford Diffraction Ltd.,
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Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.407
_exptl_crystal_description       block
_exptl_crystal_F_000             3612
_exptl_crystal_size_max          0.81
_exptl_crystal_size_mid          0.75
_exptl_crystal_size_min          0.67
_refine_diff_density_max         0.565
_refine_diff_density_min         -0.373
_refine_diff_density_rms         0.058
_refine_ls_extinction_method     none
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         9498
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_all          0.0739
_refine_ls_R_factor_gt           0.0469
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0550P)^2^+4.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1143
_refine_ls_wR_factor_ref         0.1221
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6048
_reflns_number_total             9498
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7dt04354f2.cif
_cod_data_source_block           x_sq
_cod_depositor_comments
'Adding full bibliography for 7045362--7045363.cif.'
_cod_database_code               7045362
_shelx_shelxl_version_number     2016/6
_shelx_res_checksum              91082
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