Information card for entry 4060551

Structure parameters

• Formula: C59 H45 Cl3 N5 O2 Rh
• Calculated formula: C59 H45 Cl3 N5 O2 Rh
• SMILES: [Rh]123(CCN4C(=O)c5ccccc5C4=O)[N]4=C5C(=C6C=CC(=C(C7C=CC(=C(C8=CC=C(C(=C4C=C5)c4ccc(cc4)C)N18)c1ccc(cc1)C)[N]2=7)c1ccc(cc1)C)N36)c1ccc(cc1)C.C(Cl)(Cl)Cl
• 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: 12.9274 ± 0.0015 Å
• b: 13.2281 ± 0.0016 Å
• c: 15.4074 ± 0.0017 Å
• α: 97.937 ± 0.003°
• β: 91.704 ± 0.003°
• γ: 92.349 ± 0.002°
• Cell volume: 2605.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2207
• Residual factor for significantly intense reflections: 0.0979
• Weighted residual factors for significantly intense reflections: 0.2547
• Weighted residual factors for all reflections included in the refinement: 0.3306
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No