Crystallography Open Database

Information card for entry 4327473

Preview

Coordinates	4327473.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	N-Isopropanoldithiazinane
Chemical name	O-Dimethylchloroaluminum-O-dimethylaluminum-1-methyl- -2-(1,3,5-dithiazinan-5-yl)-ethanolate
Formula	C10 H24 Al2 Cl N O S2
Calculated formula	C10 H24 Al2 Cl N O S2
SMILES	Cl[Al]([O]1[Al]([N]2(CSCSC2)C[C@@H]1C)(C)C)(C)C
Title of publication	Organometallic Aluminum Compounds Derived from 2-(1,3,5-Dithiazinan-5-yl)ethanol Ligands1
Authors of publication	Juan Carlos Gálvez-Ruiz; Henrich Nöth; Angelina Flores-Parra
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	7569 - 7578
a	10.727 ± 0.002 Å
b	11.636 ± 0.002 Å
c	14.411 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1798.8 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.062
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for significantly intense reflections	0.0869
Weighted residual factors for all reflections included in the refinement	0.0968
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
179377 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/74.	4327473.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327473.cif
61279	2012-06-26	cif/4 Fixing wrong year of publication of several entries (there was a mistake when these files were deposited)	4327473.cif
61244	2012-06-25	cif/ Adding structures of 4327473 via cif-deposit CGI script.	4327473.cif