Crystallography Open Database

Information card for entry 4328608

Preview

Coordinates	4328608.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H5 Cl5 Ga P5
Calculated formula	C2 H5 Cl5 Ga P5
SMILES	C(C)[P+]1(P2P3P1P23)Cl.[Cl-][Ga](Cl)(Cl)Cl
Title of publication	Formation of Cationic [RP5Cl]±Cages via Insertion of [RPCl]±Cations into a P-P Bond of the P4 Tetrahedron
Authors of publication	Michael H. Holthausen; Kai-Oliver Feldmann; Stephen Schulz; Alexander Hepp; Jan J. Weigand
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	3374 - 3387
a	12.6761 ± 0.0006 Å
b	8.988 ± 0.0004 Å
c	13.2882 ± 0.0006 Å
α	90°
β	112.951 ± 0.001°
γ	90°
Cell volume	1394.11 ± 0.11 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 1 K
Number of distinct elements	5
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	0.0229
Residual factor for significantly intense reflections	0.0196
Weighted residual factors for significantly intense reflections	0.0483
Weighted residual factors for all reflections included in the refinement	0.0496
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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