Crystallography Open Database

Information card for entry 4325088

Preview

Coordinates	4325088.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H98 Al2 N4 O8.5 Si2
Calculated formula	C64.0012 H98.0024 Al2 N4 O8.5003 Si2
Title of publication	Cyclic Alumosiloxanes and Alumosilicates: Exemplifying the Loewenstein Rule at the Molecular Level
Authors of publication	Sandra González-Gallardo; Vojtech Jancik; Alma A. Delgado-Robles; Mónica Moya-Cabrera
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	4226 - 4228
a	12.535 ± 0.002 Å
b	25.266 ± 0.003 Å
c	21.606 ± 0.003 Å
α	90°
β	95.57 ± 0.02°
γ	90°
Cell volume	6810.5 ± 1.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0865
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for significantly intense reflections	0.1259
Weighted residual factors for all reflections included in the refinement	0.1407
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4325088.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325088.cif
43540	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4325088 via cif-deposit CGI script.	4325088.cif