Information card for entry 4115202

Structure parameters

• Formula: C47 H41 F6 N2 O3.5 P3 Re
• Calculated formula: C47 H36 F6 N2 O3.5 P3 Re
• Title of publication: A New Route to Coordination Complexes of Nitroxyl (HNO) via Insertion Reactions of Nitrosonium Triflate with Transition-Metal Hydrides
• Authors of publication: Rory Melenkivitz; Joel S. Southern; Gregory L. Hillhouse; Thomas E. Concolino; Louise M. Liable-Sands; Arnold L. Rheingold
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 12068 - 12069
• a: 10.746 ± 0.002 Å
• b: 13.136 ± 0.002 Å
• c: 17.475 ± 0.003 Å
• α: 73.88 ± 0.02°
• β: 79.511 ± 0.014°
• γ: 78.031 ± 0.01°
• Cell volume: 2297.8 ± 0.7 ų
• Cell temperature: 261 ± 2 K
• Ambient diffraction temperature: 261 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No