Optimized Separation of Acetylene from Carbon Dioxide and Ethylene in a Microporous Material.
Lin, Rui-Biao; Li, Libo; Wu, Hui; Arman, Hadi; Li, Bin; Lin, Rong-Guang; Zhou, Wei; Chen, Banglin; Journal of the American Chemical Society 139 (2017) 8022–8028; doi:10.1021/jacs.7b03850

data_4126370
_publ_section_title
;
 Optimized Separation of Acetylene from Carbon Dioxide and Ethylene in a
 Microporous Material.
;
_journal_issue                   23
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8022
_journal_page_last               8028
_journal_paper_doi               10.1021/jacs.7b03850
_journal_volume                  139
_journal_year                    2017
_chemical_formula_sum            'C20 H16 F6 N4 O6 S2 Si Zn'
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_chemical_name_systematic
;
 ?
;
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_symmetry_space_group_name_H-M   'I b a m'
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_cell_angle_beta                 90
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'CrystalClear-SM Expert 2.0 r15 (Rigaku, 2011)'
_computing_data_collection
'CrystalClear-SM Expert 2.0 r15 (Rigaku, 2011)'
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'CrystalClear-SM Expert 2.0 r15 (Rigaku, 2011)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      100(2)
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_diffrn_measurement_device_type  'Rigaku Saturn724 (2x2 bin mode)'
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_diffrn_reflns_limit_l_min       -27
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_diffrn_reflns_point_group_measured_fraction_full 0.998
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_diffrn_source                   'Sealed Tube'
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_refine_ls_R_factor_all          0.0969
_refine_ls_R_factor_gt           0.0891
_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^)+(0.0683P)^2^+12.2033P]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2062
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_reflns_number_gt                4320
_reflns_number_total             4768
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja7b03850_si_003.cif
_cod_data_source_block           UTSA-300_H2O
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/data/users/saulius/crontab/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 
;
_cod_database_code               4126370
_shelxl_version_number           2013-2
_shelx_res_checksum              30370
_shelx_hkl_checksum              2037