Crystallography Open Database

Information card for entry 4106106

Preview

Coordinates	4106106.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65.05 H85.15 Cl1.95 N3 O9.35 Ru3
Calculated formula	C65.05 H85.15 Cl1.95 N3 O9.35 Ru3
Title of publication	Connection of Metallamacrocycles via Dynamic Covalent Chemistry: A Versatile Method for the Synthesis of Molecular Cages
Authors of publication	Anton Granzhan; Clément Schouwey; Thomas Riis-Johannessen; Rosario Scopelliti; Kay Severin
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	7106 - 7115
a	11.1899 ± 0.0018 Å
b	39.912 ± 0.007 Å
c	14.267 ± 0.002 Å
α	90°
β	92.541 ± 0.013°
γ	90°
Cell volume	6365.5 ± 1.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0581
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.0779
Weighted residual factors for all reflections included in the refinement	0.0825
Goodness-of-fit parameter for all reflections included in the refinement	1.17
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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