Information card for entry 4109371

Structure parameters

• Formula: C25 H56 N P2 Re Si2
• Calculated formula: C25 H56 N P2 Re Si2
• SMILES: [ReH2]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)[CH]1=[CH]3[C@@H]2CC[C@H]1C2
• Title of publication: Operationally Unsaturated Pincer/Rhenium Complexes Form Metal Carbenes from Cycloalkenes and Metal Carbynes from Alkanes
• Authors of publication: Oleg V. Ozerov; Lori A. Watson; Maren Pink; Kenneth G. Caulton
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 6003 - 6016
• a: 9.5377 ± 0.0002 Å
• b: 17.6915 ± 0.0004 Å
• c: 18.1246 ± 0.0004 Å
• α: 90°
• β: 93.426 ± 0.001°
• γ: 90°
• Cell volume: 3052.81 ± 0.12 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: 0.0202
• Residual factor for significantly intense reflections: 0.017
• Weighted residual factors for significantly intense reflections: 0.0424
• Weighted residual factors for all reflections included in the refinement: 0.0439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No