Information card for entry 7206767

Structure parameters

• Formula: C29 H22 Cl3 N7 Ru
• Calculated formula: C29 H22 Cl3 N7 Ru
• SMILES: c1cccc2[n]1[Ru]13(Cl)(N4C(c5ccccc5C4=Nc4cccc[n]14)=N2)[n]1ccccc1c1cccc[n]31.C(Cl)Cl
• Title of publication: Carbon dioxide reduction by mononuclear ruthenium polypyridyl complexes.
• Authors of publication: Planas, Nora; Ono, Takashi; Vaquer, Lydia; Miró, Pere; Benet-Buchholz, Jordi; Gagliardi, Laura; Cramer, Christopher J.; Llobet, Antoni
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 43
• Pages of publication: 19480 - 19484
• a: 9.2018 ± 0.0004 Å
• b: 17.8945 ± 0.0008 Å
• c: 16.4125 ± 0.0007 Å
• α: 90°
• β: 90.386 ± 0.002°
• γ: 90°
• Cell volume: 2702.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.184
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No