Crystallography Open Database

Information card for entry 4305221

Preview

Coordinates	4305221.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13.61 H5 Al O7.8
Calculated formula	C13.6128 H5 Al O7.8048
Title of publication	Tossing and Turning: Guests in the Flexible Frameworks of Metal(III) Dicarboxylates
Authors of publication	Marie Vougo-Zanda; Jin Huang; Ekaterina Anokhina; Xiqu Wang; Allan J. Jacobson
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	11535 - 11542
a	17.019 ± 0.004 Å
b	6.5844 ± 0.0016 Å
c	12.262 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1374.1 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.07
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.1385
Weighted residual factors for all reflections included in the refinement	0.1509
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
179090 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/52.	4305221.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4305221.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4305221.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4305221.cif