Information card for entry 7053446

Structure parameters

• Formula: C30 H28 B F4 N2 Rh
• Calculated formula: C30 H28 B F4 N2 Rh
• SMILES: [Rh]1234([n]5c(cc(cc5c5[n]1cccc5)c1ccccc1)c1ccccc1)[CH]1=[CH]2CC[CH]3=[CH]4CC1.[B](F)(F)(F)[F-]
• Title of publication: 2-(2′-Pyridyl)-4,6-diphenylphosphinine versus 2-(2′-pyridyl)-4,6-diphenylpyridine: an evaluation of their coordination chemistry towards Rh(i)
• Authors of publication: Carrasco, Ariadna Campos; Pidko, Evgeny A.; Masdeu-Bultó, Anna M.; Lutz, Martin; Spek, Anthony L.; Vogt, Dieter; Müller, Christian
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 8
• Pages of publication: 1547
• a: 7.4699 ± 0.0007 Å
• b: 13.7427 ± 0.0012 Å
• c: 24.527 ± 0.002 Å
• α: 90°
• β: 100.25 ± 0.005°
• γ: 90°
• Cell volume: 2477.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0286
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.0574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No