Crystallography Open Database

Information card for entry 7063963

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Coordinates	7063963.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H50 Cl4 Cu4 N16 O7
Calculated formula	C52 H36 Cl4 Cu4 N16 O7
Title of publication	Magnetic superexchange couplings in doubly bis(2-pyridyl)pyrazolato-bridged dinuclear copper(ii) complexes
Authors of publication	Kawano, Miku; Wu, Ying-Ying; Li, Zhao-Yang; Mishima, Akio; Kawata, Satoshi; Ishikawa, Ryuta
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	36
Pages of publication	15691 - 15699
a	10.0508 ± 0.0003 Å
b	11.1737 ± 0.0005 Å
c	12.3818 ± 0.0003 Å
α	102.72 ± 0.003°
β	91.193 ± 0.002°
γ	97.12 ± 0.003°
Cell volume	1344.28 ± 0.08 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0457
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.0927
Weighted residual factors for all reflections included in the refinement	0.0959
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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