Crystallography Open Database

Information card for entry 4118166

Preview

Coordinates	4118166.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H73 Hf P Pb Si8
Calculated formula	C32 H73 Hf P Pb Si8
SMILES	[Hf]12345678([P](CC)(CC)CC)([Pb]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)([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[cH]81
Title of publication	Coordination Chemistry of Cyclic Disilylated Stannylenes and Plumbylenes to Group 4 Metallocenes
Authors of publication	Henning Arp; Judith Baumgartner; Christoph Marschner; Patrick Zark; Thomas Müller
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	10864 - 10875
a	11.96 ± 0.002 Å
b	12.314 ± 0.003 Å
c	19.595 ± 0.004 Å
α	84.66 ± 0.03°
β	84.17 ± 0.03°
γ	66.45 ± 0.03°
Cell volume	2627.5 ± 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	0.1179
Residual factor for significantly intense reflections	0.0892
Weighted residual factors for significantly intense reflections	0.1808
Weighted residual factors for all reflections included in the refinement	0.1932
Goodness-of-fit parameter for all reflections included in the refinement	1.132
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
178952 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/81.	4118166.cif
75687	2013-03-12	cif/ Adding structures of 4118166 via cif-deposit CGI script.	4118166.cif