Information card for entry 7027841

Structure parameters

• Formula: C48 H40 Br2 N4 P2 Re
• Calculated formula: C48 H40 Br2 N4 P2 Re
• SMILES: [Re](Br)(Br)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(/N=N/c1ccccc1)/N=N/c1ccccc1
• Title of publication: Syntheses and characterization of phenyldiazenido and mixed phenyldiazenido‒isocyanide complexes of rhenium. Crystal structure of [ReBr2(NNPh)2(PPh3)2]
• Authors of publication: da Costa, M. Teresa A. R. S.; Dilworth, Jonathan R.; Duarte, M. Teresa; Fraústo da Silva, João J. R.; Galvão, Adelino M.; Pombeiro, Armando J. L.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 14
• Pages of publication: 2405
• a: 12.334 ± 0.002 Å
• b: 12.146 ± 0.003 Å
• c: 17.844 ± 0.003 Å
• α: 62.02 ± 0.01°
• β: 91.99 ± 0.01°
• γ: 71.55 ± 0.01°
• Cell volume: 2185.2 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0486
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for all reflections: 0.1202
• Weighted residual factors for significantly intense reflections: 0.1134
• Goodness-of-fit parameter for all reflections: 1.073
• Goodness-of-fit parameter for significantly intense reflections: 1.092
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No