Crystallography Open Database

Information card for entry 4118164

Preview

Coordinates	4118164.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H73 P Pb Si8 Ti
Calculated formula	C32 H73 P Pb Si8 Ti
SMILES	[Ti]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	11.95 ± 0.002 Å
b	12.274 ± 0.003 Å
c	19.463 ± 0.004 Å
α	84.78 ± 0.03°
β	84.62 ± 0.03°
γ	66.66 ± 0.03°
Cell volume	2605 ± 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	0.0388
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0849
Weighted residual factors for all reflections included in the refinement	0.0869
Goodness-of-fit parameter for all reflections included in the refinement	0.846
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.	4118164.cif
75685	2013-03-12	cif/ Adding structures of 4118164 via cif-deposit CGI script.	4118164.cif