Information card for entry 5000299

Structure parameters

• Formula: C30 H60 Cl2 N O P2 Re Si2
• Calculated formula: C30 H60 Cl2 N O P2 Re Si2
• SMILES: [Re]1(Cl)(Cl)([P](C[Si](O[Si](C)(C)C[P]1(C1CCCCC1)C1CCCCC1)(C)C)(C1CCCCC1)C1CCCCC1)#N
• Title of publication: Double Silyl Migration Converting ORe[N(SiMe2CH2PCy2)2] to NRe[O(SiMe2CH2PCy2)2] Substructures
• Authors of publication: Oleg V. Ozerov; Hélène F. Gerard; Lori A. Watson; John C. Huffman; Kenneth G. Caulton
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 5615 - 5625
• a: 11.2394 ± 0.0003 Å
• b: 13.2263 ± 0.0003 Å
• c: 24.2823 ± 0.0006 Å
• α: 90°
• β: 100.653°
• γ: 90°
• Cell volume: 3547.49 ± 0.15 ų
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.016
• Weighted residual factors for all reflections included in the refinement: 0.0189
• Goodness-of-fit parameter for all reflections included in the refinement: 0.4336
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No