Information card for entry 2237394

Structure parameters

• Chemical name: (4'-Ethynyl-2,2':6',2''-terpyridine)(2,2':6',2''-terpyridine)ruthenium(II) bis(hexafluoridophosphate) acetonitrile disolvate
• Formula: C36 H28 F12 N8 P2 Ru
• Calculated formula: C36 H28 F12 N8 P2 Ru
• Title of publication: (4'-Ethynyl-2,2':6',2''-terpyridine)(2,2':6',2''-terpyridine)ruthenium(II) bis(hexafluoridophosphate) acetonitrile disolvate
• Authors of publication: Chen, Weizhong; Rein, Francisca N.; Scott, Brian L.; Rocha, Reginaldo C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: m79 - m80
• a: 8.704 ± 0.002 Å
• b: 8.86 ± 0.002 Å
• c: 27.277 ± 0.007 Å
• α: 96.876 ± 0.004°
• β: 95.619 ± 0.003°
• γ: 93.023 ± 0.003°
• Cell volume: 2073.9 ± 0.9 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 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: 0.1223
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for significantly intense reflections: 0.2072
• Weighted residual factors for all reflections included in the refinement: 0.2277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.252
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes