Crystallography Open Database

Information card for entry 1559596

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Coordinates	1559596.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H126 Ce2 O6 Si6
Calculated formula	C54 H126 Ce2 O6 Si6
Title of publication	Cerium-quinone redox couples put under scrutiny.
Authors of publication	Bayer, Uwe; Werner, Daniel; Berkefeld, Andreas; Maichle-Mössmer, Cäcilia; Anwander, Reiner
Journal of publication	Chemical science
Year of publication	2020
Journal volume	12
Journal issue	4
Pages of publication	1343 - 1351
a	12.6609 ± 0.0005 Å
b	23.0055 ± 0.0009 Å
c	12.7568 ± 0.0005 Å
α	90°
β	109.44 ± 0.001°
γ	90°
Cell volume	3503.8 ± 0.2 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0329
Residual factor for significantly intense reflections	0.0256
Weighted residual factors for significantly intense reflections	0.0595
Weighted residual factors for all reflections included in the refinement	0.0631
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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