Crystallography Open Database

Information card for entry 1559598

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Coordinates	1559598.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H136 Ce2 N6 O2 Si12
Calculated formula	C57 H136 Ce2 N6 O2 Si12
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	11.4339 ± 0.0009 Å
b	12.0881 ± 0.001 Å
c	17.5236 ± 0.0014 Å
α	83.3194 ± 0.0013°
β	71.7094 ± 0.0012°
γ	63.9637 ± 0.0011°
Cell volume	2065.6 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0462
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.0631
Weighted residual factors for all reflections included in the refinement	0.0677
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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