Crystallography Open Database

Information card for entry 4001887

Preview

Coordinates	4001887.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Cu-SAPO STA-7, dehydrated 150 degree C
Chemical name	Cu-SAPO STA-7, dehydrated 150 degree C
Formula	C12 Al12 Cu0.38 N5 O49 P12
Calculated formula	C8 Al12 Cu0.382 N5 O49 P12
Title of publication	Monitoring the Activation of Copper-Containing Zeotype Catalysts Prepared by Direct Synthesis Using in Situ Synchrotron Infrared Microcrystal Spectroscopy and Complementary Techniques
Authors of publication	Eschenroeder, Eike C. V.; Turrina, Alessandro; Picone, A. Lorena; Cinque, Gianfelice; Frogley, Mark D.; Cox, Paul A.; Howe, Russell F.; Wright, Paul A.
Journal of publication	Chemistry of Materials
Year of publication	2014
Journal volume	26
Journal issue	3
Pages of publication	1434
a	18.698 ± 0.006 Å
b	18.698 ± 0.006 Å
c	9.395 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3284.6 ± 1.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	85
Hermann-Mauguin space group symbol	P 4/n :2
Hall space group symbol	-P 4a
Residual factor for all reflections	0.1364
Residual factor for significantly intense reflections	0.1153
Weighted residual factors for significantly intense reflections	0.2691
Weighted residual factors for all reflections included in the refinement	0.2811
Goodness-of-fit parameter for all reflections included in the refinement	1.269
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
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4001887.cif
104204	2014-03-10	cif/ Adding structures of 4001886, 4001887 via cif-deposit CGI script.	4001887.cif