Crystallography Open Database

Information card for entry 4114564

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Coordinates	4114564.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H42 Si5
Calculated formula	C42 H42 Si5
SMILES	[Si]([Si]1([Si]2([Si]3([Si](C)(C)C)c4ccccc4c4ccccc34)c3ccccc3c3ccccc23)c2ccccc2c2ccccc12)(C)(C)C
Title of publication	Structure and Chemistry of 1-Silafluorenyl Dianion, Its Derivatives, and an Organosilicon Diradical Dianion
Authors of publication	Yuxia Liu; Thomas C. Stringfellow; David Ballweg; Ilia A. Guzei; Robert West
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	49 - 57
a	10.713 ± 0.001 Å
b	13.4592 ± 0.0014 Å
c	13.6979 ± 0.0013 Å
α	94.279 ± 0.002°
β	94.337 ± 0.002°
γ	99.094 ± 0.002°
Cell volume	1937.1 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0666
Residual factor for significantly intense reflections	0.0451
Weighted residual factors for significantly intense reflections	0.1219
Weighted residual factors for all reflections included in the refinement	0.1342
Goodness-of-fit parameter for all reflections included in the refinement	1
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
178916 (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 4/11/45.	4114564.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114564.cif
67894	2012-10-08	cif/ Adding structures of 4114564 via cif-deposit CGI script.	4114564.cif