Information card for entry 4118024

Structure parameters

• Common name: [ReNPh2(PPh3)2] . 2 THF
• Chemical name: Nitridodiphenylbis(triphenylphosphine)rhenium(V) tetrahydrofuran solvate
• Formula: C56 H56 N O2 P2 Re
• Calculated formula: C56 H56 N O2 P2 Re
• SMILES: [Re](#N)(c1ccccc1)(c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.O1CCCC1.O1CCCC1
• Title of publication: Aryl and NHC Compounds of Technetium and Rhenium
• Authors of publication: Elisabeth Oehlke; Shushu Kong; Pawel Arciszewski; Swantje Wiebalck; Ulrich Abram
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 9118 - 9121
• a: 9.972 ± 0.001 Å
• b: 13.37 ± 0.001 Å
• c: 18.605 ± 0.001 Å
• α: 105.33 ± 0.01°
• β: 93.65 ± 0.01°
• γ: 99.08 ± 0.01°
• Cell volume: 2347.8 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0898
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 0.867
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No