Crystallography Open Database

Information card for entry 4089458

Preview

Coordinates	4089458.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H73 Ge P Si8 Zr
Calculated formula	C32 H73 Ge P Si8 Zr
SMILES	[Zr]12345678([Ge]9[Si]([Si]([Si]([Si]9([Si](C)(C)C)[Si](C)(C)C)(C)C)(C)C)([Si](C)(C)C)[Si](C)(C)C)([P](CC)(CC)CC)([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[cH]5[cH]6[cH]7[cH]81
Title of publication	Coordination Chemistry of Disilylated Germylenes with Group 4 Metallocenes.
Authors of publication	Hlina, Johann; Baumgartner, Judith; Marschner, Christoph; Zark, Patrick; Müller, Thomas
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	11
Pages of publication	3300 - 3308
a	11.914 ± 0.002 Å
b	12.35 ± 0.003 Å
c	19.437 ± 0.004 Å
α	83.87 ± 0.03°
β	84.48 ± 0.03°
γ	65.9 ± 0.03°
Cell volume	2591.3 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1113
Residual factor for significantly intense reflections	0.0849
Weighted residual factors for significantly intense reflections	0.1738
Weighted residual factors for all reflections included in the refinement	0.1842
Goodness-of-fit parameter for all reflections included in the refinement	1.149
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
243649 (current)	2019-11-26	cif/ Adding structures of 4089457, 4089458, 4089459, 4089460 via cif-deposit CGI script.	4089458.cif