Crystallography Open Database

Information card for entry 7035420

Preview

Coordinates	7035420.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H36 Cl11 Ga3 N4 P10 Si5
Calculated formula	C12 H36 Cl11 Ga3 N4 P10 Si5
SMILES	[Ga]([Cl][Ga](Cl)(Cl)Cl)(Cl)(Cl)Cl.[Ga]([Cl-])(Cl)(Cl)Cl.[P+]12(N([Si](C)(C)C)[Si]3(N([Si](C)(C)C)[P+]4(P5P6P4P56)N3[Si](C)(C)C)N2[Si](C)(C)C)P2P3P1P23
Title of publication	Formation of the spirocyclic, Si-centered cage cations [ClP(NSiMe3)2Si(NSiMe3)2P5](+) and [P5(NSiMe3)2Si(NSiMe3)2P5](2.).
Authors of publication	Holthausen, M. H.; Weigand, J. J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	5
Pages of publication	1953 - 1961
a	13.7339 ± 0.0007 Å
b	25.0441 ± 0.0012 Å
c	14.6026 ± 0.0007 Å
α	90°
β	92.797 ± 0.001°
γ	90°
Cell volume	5016.6 ± 0.4 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	7
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	0.038
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.0773
Weighted residual factors for all reflections included in the refinement	0.0811
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
176093 (current)	2016-02-05	cif/ Updating files of 7035419, 7035420, 7035421, 7035422 Original log message: Adding full bibliography for 7035419--7035422.cif.	7035420.cif
139245	2015-06-16	cif/ Adding structures of 7035419, 7035420, 7035421, 7035422 via cif-deposit CGI script.	7035420.cif