Crystallography Open Database

Information card for entry 4078233

Preview

Coordinates	4078233.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H38 Li O12 P Si W
Calculated formula	C21 H38 Li O12 P Si W
Title of publication	SET Oxidation of Li/X Phosphinidenoid Complexes by TEMPO
Authors of publication	Nesterov, Vitaly; Schwieger, Sebastian; Schnakenburg, Gregor; Grimme, Stefan; Streubel, Rainer
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	9
Pages of publication	3457
a	12.7563 ± 0.0006 Å
b	20.7282 ± 0.0007 Å
c	12.9136 ± 0.0006 Å
α	90°
β	119.045 ± 0.003°
γ	90°
Cell volume	2985.1 ± 0.2 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	7
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	0.0395
Residual factor for significantly intense reflections	0.0301
Weighted residual factors for significantly intense reflections	0.0727
Weighted residual factors for all reflections included in the refinement	0.0752
Goodness-of-fit parameter for all reflections included in the refinement	0.963
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
178671 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/82.	4078233.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078233.cif
59861	2012-06-14	cif/ Adding structures of 4078232, 4078233 via cif-deposit CGI script.	4078233.cif