Information card for entry 4336297

Structure parameters

• Chemical name: rhodium (II) dibenzotetramethylaza[14]annulene
• Formula: C56 H56 N8 Rh2
• Calculated formula: C56 H56 N8 Rh2
• SMILES: [Rh]123([Rh]456N7c8c(cccc8)N6C(=CC(C)=[N]4c4c(cccc4)[N]5=C(C=C7C)C)C)[N]4=C(C=C(C)N1c1ccccc1[N]3=C(C=C(C)N2c1c4cccc1)C)C.c1ccccc1.c1ccccc1
• Title of publication: Evaluation of the Rh(II)-Rh(II)Bond Dissociation Enthalpy for [(TMTAA)Rh]2 by 1H NMR T2 Measurements: Application in Determining the Rh-C(O)- BDE in [(TMTAA)Rh]2C=O
• Authors of publication: Gregory H. Imler; Michael J. Zdilla; Bradford B. Wayland
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 11509 - 11513
• a: 20.6966 ± 0.0016 Å
• b: 14.2017 ± 0.0011 Å
• c: 34.284 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10077 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No