Crystallography Open Database

Information card for entry 7108829

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Coordinates	7108829.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H71 B Cu F4 N2 O6.5 P2
Calculated formula	C56 H66 B Cu F4 N2 O6 P2
Title of publication	Dynamic topomerization of Cu(I)=complexed pseudorotaxanes
Authors of publication	Meera Mohankumar; Michel Holler; Michel Schmitt; Jean-Pierre Sauvage; Jean-Francois Nierengarten
Journal of publication	Chem.Commun.
Year of publication	2012
Journal volume	49
Pages of publication	1261
a	11.795 ± 0.0007 Å
b	13.2034 ± 0.0007 Å
c	19.7058 ± 0.0011 Å
α	106.642 ± 0.001°
β	106.201 ± 0.001°
γ	91.402 ± 0.001°
Cell volume	2805.3 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1298
Residual factor for significantly intense reflections	0.0905
Weighted residual factors for significantly intense reflections	0.2677
Weighted residual factors for all reflections included in the refinement	0.2942
Goodness-of-fit parameter for all reflections included in the refinement	1.104
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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