Crystallography Open Database

Information card for entry 4301614

Preview

Coordinates	4301614.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H59 Al N2 O Sn
Calculated formula	C48 H59 Al N2 O Sn
SMILES	[Sn](O[Al]1(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)C)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Preparation and Structural Characterization of Molecular Al-O-Sn(II) and Al-O-Sn(IV) Compounds
Authors of publication	Sharanappa Nembenna; Sanjay Singh; Anukul Jana; Herbert W. Roesky; Ying Yang; Hongqi Ye; Holger Ott; Dietmar Stalke
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	2273 - 2276
a	11.46 ± 0.0008 Å
b	11.5128 ± 0.0008 Å
c	16.7507 ± 0.0012 Å
α	84.52 ± 0.001°
β	84.951 ± 0.001°
γ	81.884 ± 0.001°
Cell volume	2171.7 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0278
Residual factor for significantly intense reflections	0.0238
Weighted residual factors for significantly intense reflections	0.0543
Weighted residual factors for all reflections included in the refinement	0.0558
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
179054 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/16.	4301614.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4301614.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4301614.cif
1054	2010-03-28	cif/4/ Adding data extracted in Inorg-Chem-2009_01-10/ processing.	4301614.cif