Crystallography Open Database

Information card for entry 4118165

Preview

Coordinates	4118165.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H73 P Pb Si8 Zr
Calculated formula	C32 H73 P Pb Si8 Zr
SMILES	[Zr]12345678([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)([P](CC)(CC)CC)([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	11.983 ± 0.002 Å
b	12.362 ± 0.003 Å
c	19.723 ± 0.004 Å
α	84.33 ± 0.03°
β	84.13 ± 0.03°
γ	66.64 ± 0.03°
Cell volume	2662.7 ± 1.1 Å³
Cell temperature	118 ± 2 K
Ambient diffraction temperature	118 ± 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	0.125
Residual factor for significantly intense reflections	0.0952
Weighted residual factors for significantly intense reflections	0.1904
Weighted residual factors for all reflections included in the refinement	0.2038
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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.	4118165.cif
75686	2013-03-12	cif/ Adding structures of 4118165 via cif-deposit CGI script.	4118165.cif