Efficient electrochemical synthesis of a manganese-based metal‒organic framework for H2 and CO2 uptake
Asghar, Aisha; Iqbal, Naseem; Noor, Tayyaba; Kariuki, Benson M.; Kidwell, Luke; Easun, Timothy L.; Green Chemistry 23 (2021) 1220–1227; doi:10.1039/D0GC03292A

data_7242119
_publ_section_title
;
 Efficient electrochemical synthesis of a manganese-based metal--organic
 framework for H2 and CO2 uptake
;
_journal_issue                   3
_journal_name_full               'Green Chemistry'
_journal_page_first              1220
_journal_page_last               1227
_journal_paper_doi               10.1039/D0GC03292A
_journal_volume                  23
_journal_year                    2021
_chemical_formula_sum            'C11 H11 Mn N O5'
_chemical_formula_weight         292.15
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2ybc'
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_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/1
_audit_update_record
;
2020-09-07 deposited with the CCDC.	2021-01-15 downloaded from the CCDC.
;
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_diffrn_ambient_temperature      150(2)
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_diffrn_measured_fraction_theta_max 0.885
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0298
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_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.45b (Rigaku Oxford Diffraction, 2018)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
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_refine_ls_number_reflns         6151
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_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0401
_refine_ls_R_factor_gt           0.0315
_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^)+(0.0277P)^2^+1.7572P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0711
_refine_ls_wR_factor_ref         0.0772
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5240
_reflns_number_total             6151
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0gc03292a2.cif
_cod_data_source_block           tle1812c
_cod_depositor_comments
'Adding full bibliography for 7242118--7242119.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7242119
_shelx_shelxl_version_number     2018/1
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_shelx_res_checksum              52742