Crystallography Open Database

Information card for entry 4511976

4511975 << 4511976 >> 4511977

Preview

Coordinates	4511976.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H6 Al2 O9 P3
Calculated formula	C9 H6 Al2 O9 P3
Title of publication	Reversible Dehydration Behavior Reveals Coordinatively Unsaturated Metal Sites in Microporous Aluminum Phosphonates
Authors of publication	Kinnibrugh, Tiffany L.; Bakhmutov, Vladimir I.; Clearfield, Abraham
Journal of publication	Crystal Growth & Design
Year of publication	2014
Journal volume	14
Journal issue	10
Pages of publication	4976
a	8.5943 ± 0.0003 Å
b	4.9706 ± 0.00014 Å
c	19.5499 ± 0.0006 Å
α	98.87 ± 0.004°
β	105.933 ± 0.0019°
γ	89.598 ± 0.003°
Cell volume	792.91 ± 0.04 Å³
Cell temperature	453 K
Ambient diffraction temperature	453 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	3.28
Goodness-of-fit parameter for all reflections	1.52
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.41397 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179666 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/19.	4511976.cif
131569	2015-02-08	cif/ Updating files of 4511976 Original log message: Adding full bibliography for 4511976.cif.	4511976.cif
123818	2014-09-13	cif/ Adding structures of 4511976 via cif-deposit CGI script.	4511976.cif