Crystallography Open Database

Information card for entry 1506840

Preview

Coordinates	1506840.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H52 Al2 N8 O21 P4
Calculated formula	C12 H42 Al2 N8 O21 P4
Title of publication	Observation and Reactivity of the Chainlike Species ([Al(PO4)2]3-)nduring the X-ray Diffraction Investigation of the Hydrothermal Synthesis of the Super-sodalite Sodium Aluminophosphate MIL-74 (Na2Al7(PO4)12·4trenH3·Na(H2O)16)
Authors of publication	Loiseau, Thierry; Beitone, Lionel; Millange, Franck; Taulelle, Francis; O'Hare, Dermot; Férey, Gérard
Journal of publication	The Journal of Physical Chemistry B
Year of publication	2004
Journal volume	108
Journal issue	52
Pages of publication	20020
a	17.6569 ± 0.0008 Å
b	15.4289 ± 0.0007 Å
c	25.5819 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	6969.2 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1562
Residual factor for significantly intense reflections	0.0749
Weighted residual factors for significantly intense reflections	0.1547
Weighted residual factors for all reflections included in the refinement	0.197
Goodness-of-fit parameter for all reflections included in the refinement	1.118
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.	1506840.cif
120677	2014-07-23	cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot.	1506840.cif
51479	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 1506840 via cif-deposit CGI script.	1506840.cif