Information card for entry 7061601

Structure parameters

• Formula: C23 H24.5 F13 N6.5 O P2 Ru
• Calculated formula: C23 H24.5 F13 N6.5 O P2 Ru
• SMILES: [Ru](F)(N=O)([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC.N#CC
• Title of publication: The influence of the trans-ligand to NO on the thermal stability of the photoinduced side-bond coordinated linkage isomer
• Authors of publication: Mikhailov, Artem A.; Kostin, Gennadiy A.; Schaniel, Dominik
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 26
• Pages of publication: 12641 - 12650
• a: 20.7752 ± 0.0013 Å
• b: 15.3676 ± 0.0009 Å
• c: 19.9513 ± 0.0009 Å
• α: 90°
• β: 99.0464 ± 0.0015°
• γ: 90°
• Cell volume: 6290.5 ± 0.6 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0928
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No