Crystallography Open Database

Information card for entry 4130066

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Structure parameters

Formula	C126 H130 N2 O10 Rh2
Calculated formula	C126 H130 N2 O10 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]1ccccc1)[n]1ccccc1.O(CC)CC.O(CC)CC
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	18.3091 ± 0.0005 Å
b	21.6571 ± 0.0004 Å
c	27.5325 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	10917.2 ± 0.4 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1388
Residual factor for significantly intense reflections	0.0735
Weighted residual factors for significantly intense reflections	0.1442
Weighted residual factors for all reflections included in the refinement	0.1808
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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