Crystallography Open Database

Information card for entry 4001590

Preview

Coordinates	4001590.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H9 Al3 F N2 O12 P3
Calculated formula	C5 H9 Al3 F N2 O12 P3
Title of publication	1-Alkyl-3-methyl Imidazolium Bromide Ionic Liquids in the Ionothermal Synthesis of Aluminium Phosphate Molecular Sieves
Authors of publication	Parnham, Emily R.; Morris, Russell E.
Journal of publication	Chemistry of Materials
Year of publication	2006
Journal volume	18
Journal issue	20
Pages of publication	4882
a	9.074 ± 0.003 Å
b	9.23 ± 0.003 Å
c	9.309 ± 0.003 Å
α	76.446 ± 0.005°
β	87.343 ± 0.005°
γ	89.388 ± 0.005°
Cell volume	757.1 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0555
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.1117
Weighted residual factors for all reflections included in the refinement	0.1203
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.6933 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
189835 (current)	2017-01-04	cif/4/00/ (antanas@echidna.ibt.lt) Changing the capitalization of _atom_type_symbol data item values and the values of related data items (e. g. _atom_site_type_symbol), updating the _chemical_formula_sum data item value in entry 4001590.	4001590.cif
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4001590.cif
120073	2014-07-11	Adding DOIs to range 4/00 structures.	4001590.cif
47647	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4001590 via cif-deposit CGI script.	4001590.cif