Crystallography Open Database

Information card for entry 4329508

Preview

Coordinates	4329508.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[2,6-Bis(diisopropoxyphosphonyl)-4-tert-butyl]phenyltin acetate
Formula	C24 H42 O8 P2 Sn
Calculated formula	C24 H42 O8 P2 Sn
Title of publication	{4-t-Bu-2,6-[P(O)(O-i-Pr)2]2C6H2Sn}2: An Intramolecularly Coordinated Organotin(I) Compound with a Sn-Sn Single Bond, Its Disproportionation toward a Diorganostannylene and Elemental Tin, and Its Oxidation with PhI(OAc)2
Authors of publication	Michael Wagner; Christina Dietz; Stefan Krabbe; Stephan G. Koller; Carsten Strohmann; Klaus Jurkschat
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	6851 - 6859
a	10.1722 ± 0.0009 Å
b	16.9303 ± 0.0012 Å
c	18.0365 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	3106.2 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.0854
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.0454
Weighted residual factors for all reflections included in the refinement	0.0495
Goodness-of-fit parameter for all reflections included in the refinement	0.687
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179398 (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 4/32/95.	4329508.cif
78565	2013-04-02	cif/ Adding structures of 4329508 via cif-deposit CGI script.	4329508.cif