Crystallography Open Database

Information card for entry 7708086

Preview

Coordinates	7708086.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H19 Cu F2 N2 O5
Calculated formula	C24 H19 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	15.864 ± 0.0003 Å
b	29.7886 ± 0.0006 Å
c	23.6221 ± 0.0004 Å
α	90°
β	92.232 ± 0.001°
γ	90°
Cell volume	11154.5 ± 0.4 Å³
Cell temperature	160 K
Ambient diffraction temperature	160 K
Number of distinct elements	6
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	0.1951
Residual factor for significantly intense reflections	0.1481
Weighted residual factors for significantly intense reflections	0.2804
Weighted residual factors for all reflections included in the refinement	0.2981
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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