Crystallography Open Database

Information card for entry 4130063

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Structure parameters

Formula	C120 H114 N2 O8 Rh2
Calculated formula	C120 H114 N2 O8 Rh2
SMILES	[Rh]1234([Rh]([O]=C(O1)C15c6cc(C)c(C)cc6C(c6cc(C)c(C)cc16)c1c5cc(C)c(C)c1)(OC(=[O]2)C12c5cc(C)c(C)cc5C(c5cc(C)c(C)cc15)c1c2cc(C)c(C)c1)([O]=C(O3)C12c3cc(C)c(C)cc3C(c3cc(C)c(C)cc13)c1c2cc(C)c(C)c1)(OC(=[O]4)C12c3cc(C)c(C)cc3C(c3cc(C)c(C)cc13)c1c2cc(C)c(C)c1)[n]1ccccc1C)[n]1ccccc1C
Title of publication	Rotational Control of a Dirhodium-Centered Supramolecular Four-Gear System by Ligand Exchange.
Authors of publication	Sanada, Kazuma; Ube, Hitoshi; Shionoya, Mitsuhiko
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	9
Pages of publication	2945 - 2948
a	39.8848 ± 0.0008 Å
b	17.5558 ± 0.0003 Å
c	39.2586 ± 0.0007 Å
α	90°
β	118.601 ± 0.0007°
γ	90°
Cell volume	24134.9 ± 0.8 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 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	0.0935
Residual factor for significantly intense reflections	0.0584
Weighted residual factors for significantly intense reflections	0.1595
Weighted residual factors for all reflections included in the refinement	0.192
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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