Information card for entry 2230374

Structure parameters

• Chemical name: Aqua[2-(2-pyridyl)-1,8-naphthyridine-κ^2^<i>N</i>^1^,<i>N</i>^2^](2,2':6',2''-\ terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')ruthenium(II) bis(hexafluoridophosphate) acetone sesquisolvate
• Formula: C32.5 H31 F12 N6 O2.5 P2 Ru
• Calculated formula: C32.5 H31 F12 N6 O2.5 P2 Ru
• SMILES: [Ru]123([OH2])([n]4ccccc4c4[n]1c(ccc4)c1[n]2cccc1)[n]1ccccc1c1[n]3c2ncccc2cc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O=C(C)C.O=C(C)C
• Title of publication: Aqua[2-(2-pyridyl)-1,8-naphthyridine-κ^2^<i>N</i>^1^,<i>N</i>^2^](2,2':6',2''-terpyridine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')ruthenium(II) bis(hexafluoridophosphate) acetone sesquisolvate
• Authors of publication: Oyama, Dai; Yuzuriya, Kazumi; Takase, Tsugiko
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: m737 - m738
• a: 8.5768 ± 0.001 Å
• b: 19.3495 ± 0.0017 Å
• c: 23.537 ± 0.003 Å
• α: 69.814 ± 0.004°
• β: 89.511 ± 0.005°
• γ: 78.55 ± 0.005°
• Cell volume: 3585.6 ± 0.7 ų
• Cell temperature: 93 ± 1 K
• Ambient diffraction temperature: 93 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for all reflections included in the refinement: 0.1522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes