Crystallography Open Database

Information card for entry 4327475

Preview

Coordinates	4327475.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Ethanol dithiazinane O-dimethylaluminum
Chemical name	O-Dimethylaluminum-2-(1,3,5-dithiazinan-5-yl)ethanolate dimer
Formula	C14 H32 Al2 N2 O2 S4
Calculated formula	C14 H32 Al2 N2 O2 S4
SMILES	S1CSCN(C1)CC[O]1[Al]([O](CCN2CSCSC2)[Al]1(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	9.8132 ± 0.0012 Å
b	14.7213 ± 0.0017 Å
c	15.9375 ± 0.0018 Å
α	90°
β	107.275 ± 0.002°
γ	90°
Cell volume	2198.5 ± 0.4 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.205
Residual factor for significantly intense reflections	0.1063
Weighted residual factors for significantly intense reflections	0.2419
Weighted residual factors for all reflections included in the refinement	0.2855
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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.	4327475.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327475.cif
61279	2012-06-26	cif/4 Fixing wrong year of publication of several entries (there was a mistake when these files were deposited)	4327475.cif
61246	2012-06-25	cif/ Adding structures of 4327475 via cif-deposit CGI script.	4327475.cif