Crystallography Open Database

Information card for entry 7708083

Preview

Coordinates	7708083.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H18 Cu F4 N2 O5
Calculated formula	C24 H18 Cu F4 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	16.0191 ± 0.0007 Å
b	6.1375 ± 0.0003 Å
c	23.929 ± 0.0011 Å
α	90°
β	92.11 ± 0.003°
γ	90°
Cell volume	2351.04 ± 0.19 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 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	0.0599
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.1279
Weighted residual factors for all reflections included in the refinement	0.1378
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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