Amine-functionalized Zn(ii) MOF as an efficient multifunctional catalyst for CO<sub>2</sub> utilization and sulfoxidation reaction.
Patel, Parth; Parmar, Bhavesh; Kureshy, Rukhsana I.; Khan, Noor-Ul H; Suresh, Eringathodi; Dalton transactions (Cambridge, England : 2003) 47 (2018) 8041–8051; doi:10.1039/c8dt01297k

data_7046411
_publ_section_title
;
 Amine-functionalized Zn(ii) MOF as an efficient multifunctional catalyst
 for CO<sub>2</sub> utilization and sulfoxidation reaction.
;
_journal_issue                   24
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8041
_journal_page_last               8051
_journal_paper_doi               10.1039/c8dt01297k
_journal_volume                  47
_journal_year                    2018
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_cell_length_a                   8.2476(14)
_cell_length_b                   5.4677(9)
_cell_length_c                   23.949(4)
_cell_measurement_reflns_used    3200
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.03
_cell_measurement_theta_min      3.40
_cell_volume                     1080.0(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
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_diffrn_measured_fraction_theta_max 0.993
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'BRUKER SADABS'
_exptl_crystal_colour            COLOURLESS
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_exptl_crystal_description       BLOCKS
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_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0754P)^2^+0.5303P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                2067
_reflns_number_total             2128
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c8dt01297k1.cif
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'ORTHORHOMBIC' changed to
'orthorhombic' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed to
'multi-scan' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/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 

 Adding full bibliography for 7046411.cif.

2025-03-29
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_sg_symbol_H-M      Pca21
_cod_original_formula_sum        'C26 H24 O2 S2'
_cod_original_formula_units_Z    2
_cod_original_formula_weight     432.57
_cod_database_code               7046411