Crystallography Open Database

Information card for entry 7708082

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Coordinates	7708082.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H20 Cu F2 N2 O5
Calculated formula	C24 H20 Cu F2 N2 O5
Title of publication	Dipole Fluctuation and Structural Phase Transition in Hydrogen-Bonding Molecular Assemblies of Mononuclear CuII Complexes with Polar Fluorobenzoate Ligands
Authors of publication	Takahashi, Kiyonori; Miyazaki, Yuji; Noro, Shin-ichiro; Nakano, Motohiro; Nakamura, Takayoshi; Akutagawa, Tomoyuki
Journal of publication	Dalton Transactions
Year of publication	2021
a	15.7319 ± 0.0006 Å
b	46.3383 ± 0.0014 Å
c	6.1947 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	4515.9 ± 0.3 Å³
Cell temperature	250 K
Ambient diffraction temperature	250 K
Number of distinct elements	6
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0423
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.1022
Weighted residual factors for all reflections included in the refinement	0.1077
Goodness-of-fit parameter for all reflections included in the refinement	0.95
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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