Information card for entry 4326611

Structure parameters

• Formula: C41 H33 F6 N6 O P Ru
• Calculated formula: C41 H33 F6 N6 O P Ru
• SMILES: [Ru]123([n]4c(c5[n]1cccc5)cccc4)([n]1c(c4[n]2cccc4)cccc1)[n]1cc2cc4c(nc2cc1c1c3cccc1)cccc4.[P](F)(F)(F)(F)(F)[F-].O=C(C)C
• Title of publication: Photo- and Electrochemical Redox Behavior of Cyclometalated Ru(II) Complexes Having a 3-Phenylbenzo[b][1,6]naphthyridine Ligand
• Authors of publication: Sumanta Kumar Padhi; Koji Tanaka
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 10718 - 10723
• a: 12.31 ± 0.006 Å
• b: 27.225 ± 0.012 Å
• c: 12.262 ± 0.006 Å
• α: 90°
• β: 117.337 ± 0.006°
• γ: 90°
• Cell volume: 3651 ± 3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• 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: 0.0833
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1911
• Weighted residual factors for all reflections included in the refinement: 0.2201
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No