Information card for entry 4074296

Structure parameters

• Formula: C62 H57 N6 Rh
• Calculated formula: C62 H57 N6 Rh
• SMILES: [Rh]123([n]4c5=C(c6n3c(C(=c3[n]2c(C(=c2n1c(=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)([n]1ccccc1)C#N
• Title of publication: Mechanistic Studies of Si−CN and C−NC Bond Activation of Silylnitriles and Alkyl Isonitriles by Rhodium Porphyrin Radical: Novel Cyanide Transfer
• Authors of publication: Zhang, Lirong; Fung, Chun Wah; Chan, Kin Shing
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 22
• Pages of publication: 5381
• a: 16.6326 ± 0.001 Å
• b: 17.7374 ± 0.001 Å
• c: 23.2781 ± 0.0013 Å
• α: 78.961 ± 0.001°
• β: 75.591 ± 0.001°
• γ: 73.828 ± 0.001°
• Cell volume: 6332.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1933
• Residual factor for significantly intense reflections: 0.0902
• Weighted residual factors for significantly intense reflections: 0.2825
• Weighted residual factors for all reflections included in the refinement: 0.332
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No