Information card for entry 4112576

Structure parameters

• Formula: C33 H73 N P3 Re Si2
• Calculated formula: C33 H73 N P3 Re Si2
• SMILES: [ReH4]12([P](C[Si](N2[Si](C)(C)C[P]1(C1CCCCC1)C1CCCCC1)(C)C)(C1CCCCC1)C1CCCCC1)[P](C)(C)C
• Title of publication: Transformation of Acyclic Alkenes to Hydrido Carbynes by (PNPR)Re Complexes
• 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: 2004
• Journal volume: 126
• Pages of publication: 6363 - 6378
• a: 12.5307 ± 0.0003 Å
• b: 12.6669 ± 0.0003 Å
• c: 13.3386 ± 0.0003 Å
• α: 73.288 ± 0.001°
• β: 77.648 ± 0.001°
• γ: 75.687 ± 0.001°
• Cell volume: 1941.4 ± 0.08 ų
• Cell temperature: 121 ± 2 K
• Ambient diffraction temperature: 121 ± 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: 0.0407
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.0618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No