Information card for entry 1563986

Structure parameters

• Formula: C60 H60 D12 N6 Rh2
• Calculated formula: C60 H60 D12 N6 Rh2
• SMILES: [Rh]1234(N(C(=CC(=[N]1c1c(cccc1C)C)C)C)c1c(cccc1C)C)[cH]1c5c(N[Rh]6(N(C(=CC(=[N]6c6c(cccc6C)C)C)C)c6c(cccc6C)C)N5c5ccccc5)[cH]4[cH]3[cH]21.C1([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(C1([2H])[2H])([2H])[2H]
• Title of publication: Reactivity of Rhodium(II) amido/Rhodium(I) aminyl complexes
• Authors of publication: Zhang, Nan; Zhu, Di; Herbert, David E.; van Leest, Nicolaas P.; de Bruin, Bas; Budzelaar, Peter H.M.
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2018
• Journal volume: 482
• Pages of publication: 709 - 716
• a: 19.368 ± 0.013 Å
• b: 13.833 ± 0.009 Å
• c: 19.685 ± 0.012 Å
• α: 90°
• β: 90.812 ± 0.017°
• γ: 90°
• Cell volume: 5273 ± 6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No