Information card for entry 4112251

Structure parameters

• Formula: C25 H51 N2 P2 Re Si2
• Calculated formula: C25 H51 N2 P2 Re Si2
• SMILES: [ReH]123([P](C[Si](N2[Si](C)(C)C[P]1(C(C)C)C(C)C)(C)C)(C(C)C)C(C)C)[n]1c(C=C3)cccc1
• Title of publication: Aromatic vs Aliphatic C-H Cleavage of Alkyl-Substituted Pyridines by (PNPiPr)Re Compounds
• Authors of publication: Oleg V. Ozerov; Maren Pink; Lori A. Watson; Kenneth G. Caulton
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 2105 - 2113
• a: 10.5307 ± 0.0004 Å
• b: 14.7683 ± 0.0005 Å
• c: 19.5511 ± 0.0007 Å
• α: 90°
• β: 92.604 ± 0.001°
• γ: 90°
• Cell volume: 3037.46 ± 0.19 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0181
• Residual factor for significantly intense reflections: 0.0161
• Weighted residual factors for significantly intense reflections: 0.0408
• Weighted residual factors for all reflections included in the refinement: 0.0419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No