Information card for entry 4083687

Structure parameters

• Formula: C20 H46 Br N2 O P2 Re
• Calculated formula: C20 H46 Br N2 O P2 Re
• SMILES: [ReH]12(Br)([P](CC[NH]2CC[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)N=O
• Title of publication: Hydridic Rhenium Nitrosyl Complexes with Pincer-Type PNP Ligands
• Authors of publication: Choualeb, Aldjia; Lough, Alan J.; Gusev, Dmitry G.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 14
• Pages of publication: 3509
• a: 12.3271 ± 0.0004 Å
• b: 13.8358 ± 0.0004 Å
• c: 15.1325 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2580.93 ± 0.14 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No