Information card for entry 7709281

Structure parameters

• Formula: C36 H42 Cl N6 O12 Ru2
• Calculated formula: C36 H42 Cl N6 O12 Ru2
• SMILES: [Ru]123([O]=C(C=C(O1)C)C)(OC(=CC(=[O]2)C)C)[N]1=[N]([Ru]24(OC(=CC(=[O]2)C)C)([O]=C(C)C=C(O4)C)[n]2c1n(c1ccccc21)C)c1[n]3c2c(n1C)cccc2.Cl(=O)(=O)(=O)[O-]
• Title of publication: Inner-sphere electron transfer at the ruthenium-azo interface
• Authors of publication: Lahiri, Goutam Kumar; Panda, Sanjib; Huang, Kuo-Wei; Singh, Aditi; Dey, Sanchaita
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 27.467 ± 0.0004 Å
• b: 18.9358 ± 0.0003 Å
• c: 15.8522 ± 0.0003 Å
• α: 90°
• β: 91.1157 ± 0.0015°
• γ: 90°
• Cell volume: 8243.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0788
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.1706
• Weighted residual factors for all reflections included in the refinement: 0.1867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No