Information card for entry 2006181

Structure parameters

• Formula: C40 H32 F12 N7 O0.5 P2 Ru
• Calculated formula: C40 H32 F12 N7 O0.5 P2 Ru
• SMILES: [Ru]123([n]4cccc5ccc6ccc[n]1c6c45)([n]1cccc4ccc5ccc[n]2c5c14)[n]1cccc2ccc4ccc[n]3c4c12.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC.CCOCC
• Title of publication: Λ-Tris(1,10-phenanthroline-<i>N</i>,<i>N</i>')ruthenium(II) Bis(hexafluorophosphate)‒Acetonitrile‒Diethyl Ether (1/1/0.5)
• Authors of publication: Maloney, David J.; MacDonnell, Frederick M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 705 - 707
• a: 25.372 ± 0.001 Å
• b: 25.372 ± 0.001 Å
• c: 12.726 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8192.2 ± 1.4 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 7
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.01
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for all reflections: 0.16
• Weighted residual factors for significantly intense reflections: 0.139
• Goodness-of-fit parameter for all reflections: 1.04
• Goodness-of-fit parameter for significantly intense reflections: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes