Crystallography Open Database

Information card for entry 7708084

Preview

Coordinates	7708084.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	6.09453 ± 0.00012 Å
b	46.205 ± 0.001 Å
c	23.6195 ± 0.0005 Å
α	90°
β	97.3809 ± 0.0012°
γ	90°
Cell volume	6596.1 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0636
Residual factor for significantly intense reflections	0.05
Weighted residual factors for significantly intense reflections	0.1191
Weighted residual factors for all reflections included in the refinement	0.1286
Goodness-of-fit parameter for all reflections included in the refinement	0.977
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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