Information card for entry 7043428

Structure parameters

• Formula: C29 H25 F6 N8 P Ru
• Calculated formula: C29 H25 F6 N8 P Ru
• SMILES: [Ru]1234([n]5c(cccc5)C(c5[n]1c(C(c1[n]4cccc1)(c1[n]2cccc1)C)ccc5)(c1[n]3cccc1)C)N=N#N.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis, characterization and solution behavior of a systematic series of pentapyridyl-supported RuII complexes: Comparison to bimetallic analogs
• Authors of publication: Park, Sungho V.; Berry, John F.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 9.805 ± 0.004 Å
• b: 12.202 ± 0.004 Å
• c: 12.256 ± 0.005 Å
• α: 94.783 ± 0.011°
• β: 99.495 ± 0.012°
• γ: 106.992 ± 0.016°
• Cell volume: 1369.6 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.01 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: 0.0776
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No