Crystallography Open Database

Information card for entry 7708085

Preview

Coordinates	7708085.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C120 H90 Cu5 F20 N10 O25
Calculated formula	C118 H90 Cu5 F22 N10 O25
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	49.8786 ± 0.0015 Å
b	6.11641 ± 0.00018 Å
c	40.4687 ± 0.0014 Å
α	90°
β	109.524 ± 0.002°
γ	90°
Cell volume	11636.2 ± 0.7 Å³
Cell temperature	240 K
Ambient diffraction temperature	240 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	0.1455
Residual factor for significantly intense reflections	0.0702
Weighted residual factors for significantly intense reflections	0.1484
Weighted residual factors for all reflections included in the refinement	0.1658
Goodness-of-fit parameter for all reflections included in the refinement	0.934
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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