Crystallography Open Database

Information card for entry 4106110

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Coordinates	4106110.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C302 H320 N24 O34 Ru12
Calculated formula	C291.992 H280 N24 O24 Ru12
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	46.782 ± 0.01 Å
b	21.66 ± 0.007 Å
c	43.661 ± 0.01 Å
α	90°
β	113.095 ± 0.012°
γ	90°
Cell volume	40696 ± 19 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1029
Residual factor for significantly intense reflections	0.08
Weighted residual factors for significantly intense reflections	0.2125
Weighted residual factors for all reflections included in the refinement	0.2273
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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