Information card for entry 4338960

Structure parameters

• Formula: C23 H17 F18 N8 O P3 Ru
• Calculated formula: C23 H17 F18 N8 O P3 Ru
• SMILES: [Ru]123(N=O)([n]4c(cccc4c4[n]2cccc4)c2[n]1cccc2)[n]1c(nccc1)c1[n]3cccn1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Spectroelectrochemistry and DFT analysis of a new {RuNO}n redox system with multifrequency EPR suggesting conformational isomerism in the {RuNO}7 state.
• Authors of publication: Singh, Priti; Fiedler, Jan; Zális, Stanislav; Duboc, Carole; Niemeyer, Mark; Lissner, Falk; Schleid, Thomas; Kaim, Wolfgang
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 22
• Pages of publication: 9254 - 9261
• a: 14.7169 ± 0.0002 Å
• b: 17.8342 ± 0.0002 Å
• c: 23.8615 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6262.79 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1383
• Residual factor for significantly intense reflections: 0.0868
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.189
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No