Crystallography Open Database

Information card for entry 4069181

Preview

Coordinates	4069181.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H23 N2 O5 Sb
Calculated formula	C13 H23 N2 O5 Sb
SMILES	[Sb]123([N](Cc5c2c(ccc5)C[N]3(C)C)(C)C)OC(=O)O1.O.O
Title of publication	Efficient and Reversible Fixation of Carbon Dioxide by NCN-Chelated†Organoantimony(III) Oxide
Authors of publication	Dostál, Libor; Jambor, Roman; Růžička, Aleš; Erben, Milan; Jirásko, Robert; Černošková, Eva; Holeček, Jaroslav
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	8
Pages of publication	2633
a	11.6248 ± 0.0002 Å
b	16.3348 ± 0.0002 Å
c	18.3135 ± 0.0005 Å
α	90°
β	106.296 ± 0.012°
γ	90°
Cell volume	3337.8 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0552
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.0722
Weighted residual factors for all reflections included in the refinement	0.0807
Goodness-of-fit parameter for all reflections included in the refinement	1.111
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
178580 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/91.	4069181.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069181.cif
40166	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069180, 4069181 via cif-deposit CGI script.	4069181.cif