Information card for entry 4060553

Structure parameters

• Formula: C54 H46 N5 O Rh
• Calculated formula: C54 H46 N5 O Rh
• SMILES: [Rh]123([N]4=C5C(=C6N3C(=C(C3=[N]2C(=C(C2N1C(C(=C4C=C5)c1ccc(cc1)C)=CC=2)c1ccc(cc1)C)C=C3)c1ccc(cc1)C)C=C6)c1ccc(cc1)C)CCN1CCCC1=O
• Title of publication: 1,2-Rearrangements of β-Nitrogen-Substituted (Porphyrinato)rhodium(III) Ethyls
• Authors of publication: Yeung, Siu Kwan; Chan, Kin Shing
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 11
• Pages of publication: 2561 - 2563
• a: 13.263 ± 0.003 Å
• b: 13.699 ± 0.003 Å
• c: 14.462 ± 0.003 Å
• α: 94.28 ± 0.03°
• β: 100.58 ± 0.03°
• γ: 113.76 ± 0.03°
• Cell volume: 2331.5 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.2192
• Weighted residual factors for all reflections included in the refinement: 0.2214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No