Crystallography Open Database

Information card for entry 7715997

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Coordinates	7715997.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H41 Ce F9 N3 O7
Calculated formula	C57 H41 Ce F9 N3 O7
Title of publication	New series of Mononuclear β-diketonate Cerium(III) Field Induced Single-Molecule Magnets
Authors of publication	Tubau, Ànnia; Gómez-Coca, Silvia; Speed, Saskia; Font-Bardia, Merce; Vicente, Ramon
Journal of publication	Dalton Transactions
Year of publication	2024
a	15.4985 ± 0.0006 Å
b	17.0389 ± 0.0007 Å
c	20.7744 ± 0.0009 Å
α	90°
β	107.757 ± 0.002°
γ	90°
Cell volume	5224.7 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0941
Residual factor for significantly intense reflections	0.0612
Weighted residual factors for significantly intense reflections	0.1392
Weighted residual factors for all reflections included in the refinement	0.166
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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