Crystallography Open Database

Information card for entry 4114562

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Structure parameters

Formula	C60 H94 K2 O16 Si2
Calculated formula	C60 H94 K2 O16 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	9.499 ± 0.003 Å
b	12.856 ± 0.004 Å
c	14.846 ± 0.004 Å
α	72.274 ± 0.004°
β	76.17 ± 0.005°
γ	68.932 ± 0.004°
Cell volume	1594.3 ± 0.8 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.104
Residual factor for significantly intense reflections	0.0703
Weighted residual factors for significantly intense reflections	0.1722
Weighted residual factors for all reflections included in the refinement	0.1946
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
301833 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/11/ Each referenced PubChem compound corresponds to the full crystal structure.	4114562.cif
178916	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.	4114562.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4114562.cif
67892	2012-10-08	cif/ Adding structures of 4114562 via cif-deposit CGI script.	4114562.cif