Crystallography Open Database

Information card for entry 4334684

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Structure parameters

Formula	C12 H28 Cl4.03 Ga N3.91 P Si2
Calculated formula	C12 H28 Cl4.03 Ga N3.91 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	10.253 ± 0.0003 Å
b	19.3534 ± 0.0006 Å
c	12.369 ± 0.0003 Å
α	90°
β	102.907 ± 0.001°
γ	90°
Cell volume	2392.37 ± 0.12 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
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	0.0715
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.0653
Weighted residual factors for all reflections included in the refinement	0.0758
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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
301839 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure.	4334684.cif
179449	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.	4334684.cif
100554	2014-02-06	cif/ Adding structures of 4334684 via cif-deposit CGI script.	4334684.cif