Crystallography Open Database

Information card for entry 7109582

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Coordinates	7109582.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C146 H204 Cl6 N16 Rh6
Calculated formula	C146 H204 Cl6 N16 Rh6
Title of publication	Unveiling the stereoelectronic properties of a triphenylene-based tris N-heterocyclic carbene
Authors of publication	Sergio Gonell; Roberto G. Alabau; Macarena Poyatos; Eduardo Peris
Journal of publication	Chem.Commun.
Year of publication	2013
Journal volume	49
Pages of publication	7126
a	16.9664 ± 0.001 Å
b	20.9747 ± 0.0007 Å
c	21.9872 ± 0.0009 Å
α	90°
β	107.965 ± 0.006°
γ	90°
Cell volume	7443 ± 0.6 Å³
Cell temperature	195.95 ± 0.1 K
Ambient diffraction temperature	199.95 ± 0.1 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0948
Residual factor for significantly intense reflections	0.0711
Weighted residual factors for significantly intense reflections	0.2116
Weighted residual factors for all reflections included in the refinement	0.2281
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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