Crystallography Open Database

Information card for entry 7715782

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Coordinates	7715782.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C128 H160 Ce N16 O16
Calculated formula	C128 H160 Ce N16 O16
Title of publication	Spin Dynamics Phenomena of a Cerium(III) Double-Decker Complex Induced by Intramolecular Electron Transfer
Authors of publication	Katoh, Keiichi; Kobayashi, Kana; Suzuki, Michiyuki; Sato, Tetsu; Horii, Yoji; Yoshida, Takefumi; Breedlove, Brian. K.; Yamashita, Masahiro
Journal of publication	Dalton Transactions
Year of publication	2024
a	46.5377 ± 0.0008 Å
b	19.7134 ± 0.0004 Å
c	14.1518 ± 0.0002 Å
α	90°
β	114.724 ± 0.002°
γ	90°
Cell volume	11793 ± 0.4 Å³
Cell temperature	153 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0557
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.0973
Weighted residual factors for all reflections included in the refinement	0.1019
Goodness-of-fit parameter for all reflections included in the refinement	1.1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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