Crystallography Open Database

Information card for entry 1519017

1519016 << 1519017 >> 1519018

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Coordinates	1519017.cif

Structure parameters

Formula	C6 H25 Al6 F3 N4 O26 P6
Calculated formula	C6 Al6 F3 N4 O27 P6
Title of publication	Synthesis and crystal structure of MIL-27, a new oxyfluorinated three-dimensional framework metallophosphate obtained with aluminium in four, five and sixfold coordination and templated with the tris(2-aminoethyl)amine
Authors of publication	Simon, N.; Loiseau, T.; Ferey, G.
Journal of publication	Solid State Sciences
Year of publication	1999
Journal volume	1
Pages of publication	339 - 349
a	14.2604 ± 0.0001 Å
b	11.5999 ± 0.0002 Å
c	18.3249 ± 0.0003 Å
α	90°
β	90.324 ± 0.001°
γ	90°
Cell volume	3031.24 ± 0.08 Å³
Ambient diffraction temperature	296 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0543
Weighted residual factors for significantly intense reflections	0.1489
Goodness-of-fit parameter for all reflections included in the refinement	1.092
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1519017.cif
135249	2015-04-10	cif/ Updating files of 1519017 Original log message: Last page is 349, not 347	1519017.cif
135247	2015-04-10	cif/ Adding structures of 1519017 via cif-deposit CGI script.	1519017.cif