Crystallography Open Database

Information card for entry 4106107

Preview

Coordinates	4106107.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67.6 H64.6 Cl4.8 N3 O9 Ru3
Calculated formula	C67.6 H64.6 Cl4.8 N3 O9 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	12.8074 ± 0.001 Å
b	17.1174 ± 0.0015 Å
c	19.0333 ± 0.0013 Å
α	104.466 ± 0.007°
β	92.224 ± 0.006°
γ	111.419 ± 0.008°
Cell volume	3722 ± 0.6 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1507
Residual factor for significantly intense reflections	0.1015
Weighted residual factors for significantly intense reflections	0.2896
Weighted residual factors for all reflections included in the refinement	0.3137
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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