Crystallography Open Database

Information card for entry 4334674

Preview

Coordinates	4334674.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H26 Cl4 Ga N2 O P Si2
Calculated formula	C13 H26 Cl4 Ga N2 O P Si2
SMILES	[P+]1(N=C=O)(N([Si](C)(C)C)[Si](C)(C)C)[C@@H]2C=C[C@H]1CC2.[Ga]([Cl-])(Cl)(Cl)Cl
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	14.604 ± 0.0003 Å
b	10.2486 ± 0.0002 Å
c	15.9942 ± 0.0003 Å
α	90°
β	105.269 ± 0.001°
γ	90°
Cell volume	2309.36 ± 0.08 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0795
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.0743
Weighted residual factors for all reflections included in the refinement	0.087
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
179449 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/46.	4334674.cif
100544	2014-02-06	cif/ Adding structures of 4334674 via cif-deposit CGI script.	4334674.cif