Effective CO<sub>2</sub> and CO Separation Using [M<sub>2</sub>(DOBDC)] (M = Mg, Co, Ni) with Unsaturated Metal Sites and Excavation of Their Adsorption Sites.
Kim, Hyunuk; Sohail, Muhammad; Yim, Kanghoon; Park, Young Cheol; Chun, Dong Hyuk; Kim, Hak Joo; Han, Seong Ok; Moon, Jong-Ho; ACS applied materials & interfaces 11 (2019) 7014–7021; doi:10.1021/acsami.8b20450

data_4514545
_publ_section_title
;
 Effective CO<sub>2</sub> and CO Separation Using [M<sub>2</sub>(DOBDC)]
 (M = Mg, Co, Ni) with Unsaturated Metal Sites and Excavation of Their
 Adsorption Sites.
;
_journal_issue                   7
_journal_name_full               'ACS applied materials &amp; interfaces'
_journal_page_first              7014
_journal_page_last               7021
_journal_paper_doi               10.1021/acsami.8b20450
_journal_volume                  11
_journal_year                    2019
_chemical_formula_sum            'C5.6 H Mg O6.2'
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_space_group_IT_number           148
_space_group_name_Hall           '-R 3'
_space_group_name_H-M_alt        'R -3 :H'
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
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_cell_length_b                   25.839(4)
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_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      50.00
_cell_measurement_theta_min      0.57
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_computing_cell_refinement       'HKL3000sm (Otwinowski & Minor, 1997)'
_computing_data_collection       'PAL BL2D-SMDC Program (Shin et. al, 2016)'
_computing_data_reduction        'HKL3000sm (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'DIAMOND 4 (Putz & Brandenburg, 2014)'
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_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.966
_diffrn_measured_fraction_theta_max 0.872
_diffrn_measurement_device_type  'ADSC Q210 CCD area detector'
_diffrn_measurement_method       'omega scan'
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_diffrn_reflns_av_unetI/netI     0.0167
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_diffrn_reflns_limit_h_max       43
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_diffrn_reflns_limit_k_min       -44
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_diffrn_reflns_theta_min         3.046
_diffrn_source                   'PLSII 2D bending magnet'
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_exptl_absorpt_correction_T_max  1.3213
_exptl_absorpt_correction_T_min  0.7499
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_exptl_absorpt_process_details
'HKL3000sm Scalepack (Otwinowski & Minor, 1997)'
_exptl_crystal_colour            yellow
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.2000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            am8b20450_si_003.cif
_cod_data_source_block           r-3
_cod_original_cell_volume        3985.6(14)
_cod_original_formula_sum        'C5.60 H Mg O6.20'
_cod_database_code               4514545
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.938
_shelx_estimated_absorpt_t_max   0.991
_shelx_res_checksum              12688
_shelx_hkl_checksum              80009