Information card for entry 4338883

Structure parameters

• Common name: Ru(II) complex, toluene solvate
• Formula: C123 H78 F12 N6 P2 Ru
• Calculated formula: C123 H78 F12 N6 P2 Ru
• SMILES: [Ru]1234([n]5c(ccc(c5)C#Cc5c6ccc7cccc8ccc(cc5)c6c78)c5[n]1c(ccc5)c1[n]2cc(cc1)C#Cc1c2ccc5cccc6ccc(cc1)c2c56)[n]1c(ccc(c1)C#Cc1c2ccc5cccc6ccc(cc1)c2c56)c1[n]3c(ccc1)c1[n]4cc(cc1)C#Cc1c2ccc3cccc4ccc(cc1)c2c34.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].c1ccc(cc1)C.c1ccc(cc1)C.c1ccc(cc1)C
• Title of publication: Ruthenium-terpyridine complexes with multiple ethynylpyrenyl or ethynyltoluyl subunits: X-ray structure, redox, and spectroscopic properties.
• Authors of publication: Goze, Christine; Sabatini, Cristiana; Barbieri, Andrea; Barigelletti, Francesco; Ziessel, Raymond
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 18
• Pages of publication: 7341 - 7350
• a: 17.131 ± 0.003 Å
• b: 18.134 ± 0.003 Å
• c: 18.725 ± 0.003 Å
• α: 108.97 ± 0.05°
• β: 108.77 ± 0.05°
• γ: 107.19 ± 0.05°
• Cell volume: 4659 ± 5 ų
• Cell temperature: 177 ± 2 K
• Ambient diffraction temperature: 177 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1338
• Residual factor for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections: 0.2792
• Weighted residual factors for all reflections included in the refinement: 0.2337
• Goodness-of-fit parameter for all reflections: 1.008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.972 Å
• Diffraction radiation type: synchrotronDCI
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No