Information card for entry 7000376

Structure parameters

• Formula: C48 H39 Br F12 N12 O2 P2 Ru
• Calculated formula: C48 H39 Br F12 N12 O2 P2 Ru
• SMILES: [Ru]1234([n]5nn(cc5c5[n]1c(ccc5)c1[n]2nn(c1)c1ccc(OC)cc1)c1ccc(OC)cc1)[n]1ccccc1c1[n]3c(cc(c1)c1ccc(Br)cc1)c1[n]4cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC.N#CC
• Title of publication: 2,2′:6′,2″-Terpyridine meets 2,6-bis(1H-1,2,3-triazol-4-yl)pyridine: tuning the electro-optical properties of ruthenium(ii) complexes
• Authors of publication: Schulze, Benjamin; Friebe, Christian; Hager, Martin D.; Winter, Andreas; Hoogenboom, Richard; Görls, Helmar; Schubert, Ulrich S.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 5
• Pages of publication: 787 - 794
• a: 10.4011 ± 0.0004 Å
• b: 15.6521 ± 0.0007 Å
• c: 16.4051 ± 0.0006 Å
• α: 101.112 ± 0.002°
• β: 93.416 ± 0.003°
• γ: 90.46 ± 0.002°
• Cell volume: 2615.49 ± 0.18 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 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: 0.0984
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1407
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No