Crystallography Open Database

Information card for entry 4334658

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Structure parameters

Formula	C4 H11 Cl2 P
Calculated formula	C4 H11 Cl2 P
SMILES	C[P+](C)(C)CCl.[Cl-]
Title of publication	Phosphine and Diphosphine Complexes of Silicon(IV) Halides
Authors of publication	William Levason; David Pugh; Gillian Reid
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	5185 - 5193
a	12 ± 0.006 Å
b	10.204 ± 0.005 Å
c	12.936 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	1584 ± 1.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.078
Residual factor for significantly intense reflections	0.072
Weighted residual factors for significantly intense reflections	0.1841
Weighted residual factors for all reflections included in the refinement	0.1923
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4334658.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.	4334658.cif
100528	2014-02-06	cif/ Adding structures of 4334658 via cif-deposit CGI script.	4334658.cif