Information card for entry 4109369

Structure parameters

• Formula: C35 H68 N P2 Re Si2
• Calculated formula: C35 H68 N P2 Re Si2
• SMILES: [ReH2]12345([P](C[Si](N2[Si](C)(C)C[P]1(C1CCCCC1)C1CCCCC1)(C)C)(C1CCCCC1)C1CCCCC1)[CH]1C[CH]5=[CH]4[CH]3=1
• 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: 10.6899 ± 0.0002 Å
• b: 11.663 ± 0.0003 Å
• c: 16.4431 ± 0.0004 Å
• α: 78.732 ± 0.001°
• β: 85.921 ± 0.001°
• γ: 68.273 ± 0.001°
• Cell volume: 1867.71 ± 0.08 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0263
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.0498
• Weighted residual factors for all reflections included in the refinement: 0.0521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No