Crystallography Open Database

Information card for entry 4334681

Preview

Coordinates	4334681.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	N,N-bis(trimethylsilyl)amino(4-dimethylaminopyridyl)isocyanatophosphenium tetrachlorogallate
Formula	C13.9 H28 Cl4.1 Ga N3.9 O0.9 P Si2
Calculated formula	C13.902 H28 Cl4.098 Ga N3.902 O0.902 P Si2
Title of publication	On the Synthesis and Reactivity of Highly Labile Pseudohalogen Phosphenium Ions
Authors of publication	Christian Hering; Axel Schulz; Alexander Villinger
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	5214 - 5225
a	15.5311 ± 0.0008 Å
b	9.3799 ± 0.0005 Å
c	18.6699 ± 0.0011 Å
α	90°
β	111.377 ± 0.003°
γ	90°
Cell volume	2532.7 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
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	0.0935
Residual factor for significantly intense reflections	0.0403
Weighted residual factors for significantly intense reflections	0.0838
Weighted residual factors for all reflections included in the refinement	0.0939
Goodness-of-fit parameter for all reflections included in the refinement	1
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4334681.cif
100551	2014-02-06	cif/ Adding structures of 4334681 via cif-deposit CGI script.	4334681.cif