Information card for entry 4331141

Structure parameters

• Chemical name: 4-Fluoren-9-ylidenemethyl-pyridine-2,2-bipyridinetricarbony-rhenium(I) hexafluorophosphate dichloromethane monosolvate
• Formula: C33 H23 Cl2 F6 N3 O3 P Re
• Calculated formula: C33 H23 Cl2 F6 N3 O3 P Re
• 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: 8.1758 ± 0.0003 Å
• b: 14.2872 ± 0.0005 Å
• c: 14.8093 ± 0.0005 Å
• α: 90.429 ± 0.001°
• β: 90.852 ± 0.002°
• γ: 102.281 ± 0.002°
• Cell volume: 1689.99 ± 0.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0313
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No