Information card for entry 7001105

Structure parameters

• Formula: C62 H56 F12 N8 P2 Ru
• Calculated formula: C62 H56 F12 N8 P2 Ru
• SMILES: [Ru]1234([n]5ccccc5c5[n]1c(cc(c5)c1ccc(N(c5ccccc5)CCCC)cc1)c1[n]2cccc1)[n]1ccccc1c1[n]3c(cc(c1)c1ccc(N(c2ccccc2)CCCC)cc1)c1[n]4cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Oligoaniline-Functionalized terpyridine ligands and their ruthenium(II) complexes: synthesis, spectroscopic property and redox behavior
• Authors of publication: Qiu, Dongfang; Cheng, Yanxiang; Wang, Lixiang
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 17
• Pages of publication: 3247 - 3261
• a: 9.3421 ± 0.0014 Å
• b: 10.3691 ± 0.0015 Å
• c: 15.427 ± 0.002 Å
• α: 77.133 ± 0.002°
• β: 89.628 ± 0.002°
• γ: 80.524 ± 0.002°
• Cell volume: 1436.3 ± 0.4 ų
• Cell temperature: 186 ± 2 K
• Ambient diffraction temperature: 186 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No