Information card for entry 7703899

Structure parameters

• Chemical name: [(Giso)Rh(CO2)]
• Formula: C39 H56 N3 O2 Rh
• Calculated formula: C39 H56 N3 O2 Rh
• SMILES: [Rh]1([N](c2c(cccc2C(C)C)C(C)C)=C(N(C2CCCCC2)C2CCCCC2)N1c1c(cccc1C(C)C)C(C)C)(C#[O])C#[O]
• Title of publication: Bulky bis(aryl)triazenides: just aspiring amidinates? A structural and spectroscopic study.
• Authors of publication: Gyton, Matthew R.; Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 17
• Pages of publication: 5653 - 5661
• a: 9.4904 ± 0.0004 Å
• b: 18.29 ± 0.0008 Å
• c: 20.8209 ± 0.0007 Å
• α: 90°
• β: 99.416 ± 0.002°
• γ: 90°
• Cell volume: 3565.4 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0356
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No