Information card for entry 4331144

Structure parameters

• Chemical name: 3-Fluoren-9-ylidenemethyl-pyridine-2,2-bipyridinetricarbony-rhenium(I) hexafluorophosphate ethyl acetate hemisolvate
• Formula: C68 H50 F12 N6 O8 P2 Re2
• Calculated formula: C68 H50 F12 N6 O8 P2 Re2
• Title of publication: Diimine Triscarbonyl Re(I) of Isomeric Pyridyl-fulvene Ligands: an Electrochemical, Spectroscopic, and Computational Investigation
• Authors of publication: Daniel Chartrand; Carlos A. Castro Ruiz; Garry S. Hanan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 12738 - 12747
• a: 29.1631 ± 0.0005 Å
• b: 12.2319 ± 0.0002 Å
• c: 18.7356 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6683.4 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0269
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No