Crystallography Open Database

Information card for entry 4001483

Preview

Coordinates	4001483.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H19.5 Al N2 O9.25 P2
Calculated formula	C6 H14 Al N2 O9.27 P2
Title of publication	Synthesis, Structure and Properties of Related MicroporousN,N‘-Piperazinebismethylenephosphonates of Aluminum and Titanium
Authors of publication	Serre, Christian; Groves, John A.; Lightfoot, Philip; Slawin, Alexandra M. Z.; Wright, Paul A.; Stock, Norbert; Bein, Thomas; Haouas, Mohamed; Taulelle, Francis; Férey, Gérard
Journal of publication	Chemistry of Materials
Year of publication	2006
Journal volume	18
Journal issue	6
Pages of publication	1451
a	18.859 ± 0.009 Å
b	6.915 ± 0.003 Å
c	11.256 ± 0.006 Å
α	90°
β	90.54 ± 0.02°
γ	90°
Cell volume	1467.8 ± 1.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.1651
Residual factor for significantly intense reflections	0.1387
Weighted residual factors for significantly intense reflections	0.3233
Weighted residual factors for all reflections included in the refinement	0.3393
Goodness-of-fit parameter for all reflections included in the refinement	1.208
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4001483.cif
120073	2014-07-11	Adding DOIs to range 4/00 structures.	4001483.cif
47572	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4001483 via cif-deposit CGI script.	4001483.cif