Crystallography Open Database

Information card for entry 7043825

Preview

Coordinates	7043825.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88.5 H118.5 Cu4 N8 O25
Calculated formula	C88.5 H118.5 Cu4 N8 O25
Title of publication	Twisting Induces Ferromagnetism in Homometallic Clusters
Authors of publication	Novitchi, Ghénadie; Vela, Sergi; Pilet, Guillaume; Train, Cyrille; Robert, Vincent
Journal of publication	Dalton Trans.
Year of publication	2017
a	13.9452 ± 0.0006 Å
b	15.3362 ± 0.0005 Å
c	21.8663 ± 0.0008 Å
α	90°
β	89.343 ± 0.003°
γ	90°
Cell volume	4676.2 ± 0.3 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0592
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for all reflections	0.0681
Weighted residual factors for significantly intense reflections	0.0565
Weighted residual factors for all reflections included in the refinement	0.0542
Goodness-of-fit parameter for all reflections included in the refinement	1.0347
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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