Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type Metal‒Organic Frameworks by Modifying the Framework Inorganic Anion
Nanthamathee, Chompoonoot; Ling, Sanliang; Slater, Ben; Attfield, Martin P.; Chemistry of Materials  (2014) 141223143002002–; doi:10.1021/cm503311x

data_4002112
_publ_section_title
;
 Contradistinct Thermoresponsive Behavior of Isostructural MIL-53 Type
 Metal--Organic Frameworks by Modifying the Framework Inorganic Anion
;
_journal_name_full               'Chemistry of Materials'
_journal_page_first              141223143002002
_journal_paper_doi               10.1021/cm503311x
_journal_year                    2014
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_symmetry_space_group_name_Hall  '-I 2b 2'
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_audit_update_record
' 2014-08-28T12:20  Initial CIF as created by GSAS2CIF'
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_exptl_absorpt_process_details
;   GSAS Absorption/surface roughness correction: function number 0
 No correction is applied.
;
_pd_block_id                     2014-08-28T12:20|500K|300k|i11
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_pd_phase_name                   300K
_pd_proc_2theta_range_inc        0.003
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_pd_proc_info_datetime           2014-08-28T12:20:06
_pd_proc_info_excluded_regions   ' ?'
_pd_proc_ls_background_function
;   GSAS Background function number 1 with  2 terms.
 Shifted Chebyshev function of 1st kind
      1:    0.00000     2:    0.00000    
;
_pd_proc_ls_peak_cutoff          0.00010
_pd_proc_ls_profile_function
;
 CW Profile function number 4 with  18 terms
 Pseudovoigt profile coefficients as parameterized in
 P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83.
 Asymmetry correction of L.W. Finger, D.E. Cox & A. P. Jephcoat (1994).
 J. Appl. Cryst.,27,892-900.
 Microstrain broadening by P.W. Stephens,  (1999). J. Appl. Cryst.,32,281-289.
 Peak tails are ignored  where the intensity is below 0.0001 times the peak
   Aniso. broadening axis   1.0   0.0   1.0
;
_pd_proc_ls_prof_R_factor        0.0365
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'N' changed to 'n' according to
/home/saulius/struct/COD-crude-data--automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26 (18
times).

'_geom_angle_publ_flag' value 'N' changed to 'n' according
to
/home/saulius/struct/COD-crude-data--automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26 (24
times).

Automatic conversion script
Id: cif_fix_values 2935 2014-11-11 08:27:57Z andrius 
;
_cod_original_cell_volume        1423.806(32)
_cod_database_code               4002112
_gsas_exptl_extinct_corr_t_min   1.00000
_gsas_exptl_extinct_corr_t_max   1.00000