Information card for entry 4074167

Structure parameters

• Formula: C64 H65 N4 O Rh Si
• Calculated formula: C64 H63 N4 O Rh Si
• SMILES: [Rh]123([Si](c4ccccc4)(C)C)n4c5=C(c6[n]3c(=C(c3n2c(C(=c2[n]1c(C(=c4cc5)c1c(cc(cc1C)C)C)cc2)c1c(cc(cc1C)C)C)cc3)c1c(cc(cc1C)C)C)cc6)c1c(cc(cc1C)C)C.O
• Title of publication: Facile Synthesis of Rhodium(III) Porphyrin Silyls by Silicon−Hydrogen Bond Activation with Rhodium(III) Porphyrin Halides and Methyls
• Authors of publication: Zhang, Lirong; Chan, Kin Shing
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 20
• Pages of publication: 4822
• a: 28.4903 ± 0.0014 Å
• b: 28.4903 ± 0.0014 Å
• c: 14.7397 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11964.2 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 80
• Hermann-Mauguin space group symbol: I 41
• Hall space group symbol: I 4bw
• Residual factor for all reflections: 0.1901
• Residual factor for significantly intense reflections: 0.0888
• Weighted residual factors for significantly intense reflections: 0.221
• Weighted residual factors for all reflections included in the refinement: 0.3125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No