Crystallography Open Database

Information card for entry 4511977

4511976 << 4511977 >> 4511978

Preview

Coordinates	4511977.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H7 Al O7 P2
Calculated formula	C6 H6.9957 Al O7 P2
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	10.05306 ± 0.00004 Å
b	9.22355 ± 0.00004 Å
c	10.09498 ± 0.00004 Å
α	90°
β	104.776 ± 0.0003°
γ	90°
Cell volume	905.101 ± 0.007 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	4.19
Goodness-of-fit parameter for all reflections	1.5
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.41398 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4511977.cif
131570	2015-02-08	cif/ Updating files of 4511977 Original log message: Adding full bibliography for 4511977.cif.	4511977.cif
123819	2014-09-13	cif/ Adding structures of 4511977 via cif-deposit CGI script.	4511977.cif