Information card for entry 7012360

Structure parameters

• Formula: C40.5 H27 F12 N10 O P2 Ru
• Calculated formula: C40 H24 F12 N10 P2 Ru
• SMILES: [Ru]123([n]4cccc5c4c4[n]1cccc4c1nc4c(nc51)cc(c(c4)C#N)C#N)([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Ruthenium(ii) complex of bis(2,2???-bipyridine)(6,7-dicyanodipyrido[3,2-a:2???,3???-c]phenazine): synthesis, structure, electrochemical and luminescence studies
• Authors of publication: Rusanova, Julia; Decurtins, Silvio; Rusanov, Eduard; Stoeckli-Evans, Helen; Delahaye, Sandra; Hauser, Andreas
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 23
• Pages of publication: 4318
• a: 9.304 ± 0.002 Å
• b: 37.034 ± 0.007 Å
• c: 12.014 ± 0.002 Å
• α: 90°
• β: 97.54 ± 0.03°
• γ: 90°
• Cell volume: 4103.8 ± 1.4 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: 0.1495
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.1406
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No