Crystallography Open Database

Information card for entry 7044265

Preview

Structure parameters

Chemical name	2,5-Bis[(trimethylsilyl)oxy]-2,5-cyclohexadiene-1,4-dione
Formula	C12 H20 O4 Si2
Calculated formula	C12 H20 O4 Si2
SMILES	C1(=O)C(=CC(=O)C(=C1)O[Si](C)(C)C)O[Si](C)(C)C
Title of publication	Thermal expansion and magnetic properties of benzoquinone-bridged dinuclear rare-earth complexes
Authors of publication	Moilanen, Jani; Mansikkamäki, Akseli; Lahtinen, Manu; Guo, Fu-Sheng; Kalenius, Elina; Layfield, Richard; Chibotaru, Liviu F.
Journal of publication	Dalton Trans.
Year of publication	2017
a	6.3882 ± 0.00016 Å
b	9.9721 ± 0.0003 Å
c	11.9758 ± 0.0003 Å
α	90°
β	100.55 ± 0.003°
γ	90°
Cell volume	750.01 ± 0.04 Å³
Cell temperature	120.01 ± 0.1 K
Ambient diffraction temperature	120.01 ± 0.1 K
Number of distinct elements	4
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	0.0332
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0814
Weighted residual factors for all reflections included in the refinement	0.0834
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301850 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure.	7044265.cif
201015	2017-09-19	cif/ Adding structures of 7044263, 7044264, 7044265 via cif-deposit CGI script.	7044265.cif