Crystallography Open Database

Information card for entry 7043824

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Coordinates	7043824.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H35 Cl N2 O8
Calculated formula	C28 H35 Cl N2 O8
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	5.6286 ± 0.0006 Å
b	10.2605 ± 0.0016 Å
c	12.8165 ± 0.0018 Å
α	73.668 ± 0.013°
β	87.745 ± 0.01°
γ	88.353 ± 0.011°
Cell volume	709.64 ± 0.17 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0739
Residual factor for significantly intense reflections	0.0519
Weighted residual factors for all reflections	0.074
Weighted residual factors for significantly intense reflections	0.0549
Weighted residual factors for all reflections included in the refinement	0.0519
Goodness-of-fit parameter for all reflections included in the refinement	1.0854
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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