Crystallography Open Database

Information card for entry 7117606

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Coordinates	7117606.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C91 H99 Cu2 N7 O10
Calculated formula	C91 H99 Cu2 N7 O10
Title of publication	Mechanical switching of magnetic interaction by tweezers-type complex.
Authors of publication	Doistau, Benjamin; Cantin, Jean-Louis; Chamoreau, Lise-Marie; Marvaud, Valérie; Hasenknopf, Bernold; Vives, Guillaume
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2015
Journal volume	51
Journal issue	65
Pages of publication	12916 - 12919
a	11.3594 ± 0.0002 Å
b	40.7108 ± 0.0006 Å
c	19.0962 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	8831 ± 0.2 Å³
Cell temperature	200 ± 1 K
Ambient diffraction temperature	200 ± 1 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1306
Residual factor for significantly intense reflections	0.0909
Weighted residual factors for significantly intense reflections	0.2591
Weighted residual factors for all reflections included in the refinement	0.2876
Goodness-of-fit parameter for all reflections included in the refinement	1.102
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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