Crystallography Open Database

Information card for entry 4114566

Preview

Coordinates	4114566.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H48 K2 O4 Si2
Calculated formula	C39.944 H47.896 K2 O4 Si2
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	14.4065 ± 0.0013 Å
b	23.313 ± 0.002 Å
c	12.3328 ± 0.0011 Å
α	90°
β	112.597 ± 0.002°
γ	90°
Cell volume	3824.1 ± 0.6 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1136
Residual factor for significantly intense reflections	0.0577
Weighted residual factors for significantly intense reflections	0.1314
Weighted residual factors for all reflections included in the refinement	0.1557
Goodness-of-fit parameter for all reflections included in the refinement	0.941
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4114566.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114566.cif
67896	2012-10-08	cif/ Adding structures of 4114566 via cif-deposit CGI script.	4114566.cif