Information card for entry 1507915

Structure parameters

• Common name: monoRu
• Formula: C49 H49 F18 N8 O4 P3 Ru
• Calculated formula: C49 H49 F18 N8 O4 P3 Ru
• SMILES: [Ru]123([n]4c5c6[n]1cccc6c1c(c5ccc4)n(c[n+]1CCCC)CCCC)([n]1c4c5[n]2cccc5ccc4ccc1)[n]1c2c4[n]3cccc4ccc2ccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O1CCOCC1.O.O
• Title of publication: Ru(II)-M(I) (M = Rh and Ir) bimetallic complexes based on a bridging ligand composed of 1,10-phenanthroline and N-heterocyclic carbene: Coordination chemistry and detection property of carbon monoxide
• Authors of publication: Park, Hee-Jun; Chung, Young Keun
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2012
• Journal volume: 391
• Pages of publication: 105 - 113
• a: 13.6586 ± 0.0004 Å
• b: 14.2542 ± 0.0005 Å
• c: 17.7669 ± 0.0007 Å
• α: 101.268 ± 0.002°
• β: 105.102 ± 0.002°
• γ: 105.219 ± 0.002°
• Cell volume: 3090.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.1233
• Residual factor for significantly intense reflections: 0.1044
• Weighted residual factors for significantly intense reflections: 0.3024
• Weighted residual factors for all reflections included in the refinement: 0.3244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.329
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mok/a
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No