Reversible Dehydration Behavior Reveals Coordinatively Unsaturated Metal Sites in Microporous Aluminum Phosphonates
Kinnibrugh, Tiffany L.; Bakhmutov, Vladimir I.; Clearfield, Abraham; Crystal Growth & Design 14 (2014) 4976–; doi:10.1021/cg5005215

data_4511977
_publ_section_title
;
 Reversible Dehydration Behavior Reveals Coordinatively Unsaturated Metal
 Sites in Microporous Aluminum Phosphonates
;
_journal_issue                   10
_journal_name_full               'Crystal Growth &amp; Design'
_journal_page_first              4976
_journal_paper_doi               10.1021/cg5005215
_journal_volume                  14
_journal_year                    2014
_chemical_formula_moiety         'C6 H7 Al1 O7 P2'
_chemical_formula_sum            'C6 H7 Al O7 P2'
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;
TOPAS v4.2, Charge Flipping(Oszlanyi and Suto, 2004)       
;
_diffrn_ambient_temperature      295
_diffrn_detector                 '12-analyzer detector system'
_diffrn_measurement_device       'Diffractometer at APS 11-BM-B'
_diffrn_radiation_monochromator  'PSL DCM Si(111)'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.41398
_diffrn_source                   synchrotron
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_exptl_absorpt_coefficient_mu    0.144
_exptl_absorpt_correction_type   cylinder
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_exptl_crystal_density_diffrn    2.0545
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_pd_char_colour                  colourless
_pd_instr_location
; 
11-BM-B line diffractometer, APS, Argonne National Lab (USA)
;
_pd_meas_2theta_range_inc        0.001
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_pd_proc_ls_prof_wR_factor       0.0976
_refine_ls_goodness_of_fit_all   1.50
_refine_ls_hydrogen_treatment    constr
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_refine_ls_shift/su_max          0.0381
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_refine_ls_weighting_scheme      sigma
_cod_data_source_file            cg5005215_si_001.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_diffrn_radiation_probe' value 'X-ray' changed to 'x-ray' 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.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 4511977.cif.
;
_cod_original_cell_volume        905.101(6)
_cod_original_sg_symbol_Hall     '-P 2ycb'
_cod_original_formula_sum        'C6 H7 Al1 O7 P2'
_cod_database_code               4511977