Information card for entry 4069865

Structure parameters

• Chemical name: (Z)-phenylvinyl mono-nitrosyl bis-tricyclohexylphosphine rhenium bromide
• Formula: C44 H73 Br N O P2 Re
• Calculated formula: C44 H73 Br N O P2 Re
• SMILES: C(=C\c1ccccc1)/[Re](N=O)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)Br
• Title of publication: From Alkynes to Carbenes Mediated by [Re(Br)(H)(NO)(PR3)2] (R = Cy,iPr) Complexes
• Authors of publication: Jiang, Yanfeng; Blacque, Olivier; Fox, Thomas; Frech, Christian M.; Berke, Heinz
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 16
• Pages of publication: 4670
• a: 20.2785 ± 0.0003 Å
• b: 10.1861 ± 0.0001 Å
• c: 21.0659 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4351.35 ± 0.1 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No