Information card for entry 4071802

Structure parameters

• Formula: C55 H51 N4 O Rh
• Calculated formula: C55 H51 N4 O Rh
• SMILES: [Rh]123([n]4c5=C(c6n3c(C(=c3[n]2c(C(=c2n1c(=C(c4cc5)c1ccc(cc1)C)cc2)c1ccc(cc1)C)cc3)c1ccc(cc1)C)cc6)c1ccc(cc1)C)C1CCCC1.OCC
• Title of publication: Base-Promoted Carbon−Hydrogen Bond Activation of Alkanes with Rhodium(III) Porphyrin Complexes
• Authors of publication: Chan, Yun Wai; Chan, Kin Shing
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 18
• Pages of publication: 4625
• a: 15.579 ± 0.002 Å
• b: 18.482 ± 0.002 Å
• c: 16.155 ± 0.002 Å
• α: 90°
• β: 107.516 ± 0.002°
• γ: 90°
• Cell volume: 4435.8 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1032
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1861
• Weighted residual factors for all reflections included in the refinement: 0.2249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No