Crystallography Open Database

Information card for entry 4106114

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Coordinates	4106114.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C124 H134 Cl12 N12 O14 Ru6
Calculated formula	C124.02 H130.02 Cl12.06 N12 O14 Ru6
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	20.034 ± 0.003 Å
b	20.034 ± 0.003 Å
c	91.487 ± 0.018 Å
α	90°
β	90°
γ	120°
Cell volume	31800 ± 9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.187
Residual factor for significantly intense reflections	0.1375
Weighted residual factors for significantly intense reflections	0.3449
Weighted residual factors for all reflections included in the refinement	0.3832
Goodness-of-fit parameter for all reflections included in the refinement	1.278
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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