Crystallography Open Database

Information card for entry 7715783

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Coordinates	7715783.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C144 H196 Ce N17 O16
Calculated formula	C144.008 H196.018 Ce N17 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	33.8407 ± 0.0003 Å
b	11.2636 ± 0.0001 Å
c	36.7134 ± 0.0004 Å
α	90°
β	95.286 ± 0.001°
γ	90°
Cell volume	13934.5 ± 0.2 Å³
Cell temperature	233 K
Ambient diffraction temperature	233 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.041
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.0957
Weighted residual factors for all reflections included in the refinement	0.0987
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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