Information card for entry 4132415

Structure parameters

• Common name: FS-III-162
• Formula: C62.5 H138 Cl3.5 N5.5 P6 Re3
• Calculated formula: C62.5 H138 Cl3.5 N5.5 P6 Re3
• Title of publication: Mechanism of Chemical and Electrochemical N₂ Splitting by a Rhenium Pincer Complex.
• Authors of publication: Lindley, Brian M.; van Alten, Richt S.; Finger, Markus; Schendzielorz, Florian; Würtele, Christian; Miller, Alexander J. M.; Siewert, Inke; Schneider, Sven
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 25
• Pages of publication: 7922 - 7935
• a: 12.4165 ± 0.0008 Å
• b: 33.602 ± 0.002 Å
• c: 19.7243 ± 0.0014 Å
• α: 90°
• β: 101.313 ± 0.002°
• γ: 90°
• Cell volume: 8069.5 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1113
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No