Information card for entry 4345229

Structure parameters

• Formula: C36 H36 N4 O10 Ru2
• Calculated formula: C36 H36 N4 O10 Ru2
• SMILES: [Ru]123(OC(=CC(=[O]2)C)C)(OC(=CC(=[O]1)C)C)N1C(=C2C(C1=O)=C1N([Ru]45([O]=C(C=C(O4)C)C)(OC(=CC(=[O]5)C)C)[n]4c1cccc4)C2=O)c1[n]3cccc1
• Title of publication: Metal-Metal Bridging Using the DPPP Dye System: Electronic Configurations within Multiple Redox Series.
• Authors of publication: Singha Hazari, Arijit; Mandal, Abhishek; Beyer, Katharina; Paretzki, Alexa; Kaim, Wolfgang; Lahiri, Goutam Kumar
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 5
• Pages of publication: 2992 - 3004
• a: 11.546 ± 0.0006 Å
• b: 12.3406 ± 0.0005 Å
• c: 14.1531 ± 0.0007 Å
• α: 84.045 ± 0.004°
• β: 80.164 ± 0.004°
• γ: 77.19 ± 0.004°
• Cell volume: 1932.94 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0954
• Residual factor for significantly intense reflections: 0.0717
• Weighted residual factors for significantly intense reflections: 0.174
• Weighted residual factors for all reflections included in the refinement: 0.1881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No