Information card for entry 1518848

Structure parameters

• Formula: C68 H58 O12 Ru2
• Calculated formula: C68 H58 O12 Ru2
• SMILES: [Ru]1234([Ru]([O]=C(O1)c1c5ccccc5cc5ccccc15)(OC(=[O]2)c1c2ccccc2cc2ccccc12)([O]=C(O4)c1c2ccccc2cc2ccccc12)(OC(=[O]3)c1c2ccccc2cc2ccccc12)[OH]CC)[OH]CC.OCC.OCC
• Title of publication: Microwave and solvothermal methods for the synthesis of nickel and ruthenium complexes with 9-anthracene carboxylate ligand
• Authors of publication: Cortijo, Miguel; Delgado-Martínez, Patricia; González-Prieto, Rodrigo; Herrero, Santiago; Jiménez-Aparicio, Reyes; Perles, Josefina; Priego, José L.; Torres, M. R.
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2015
• Journal volume: 424
• Pages of publication: 176 - 185
• a: 9.1375 ± 0.0002 Å
• b: 18.2232 ± 0.0005 Å
• c: 17.7988 ± 0.0005 Å
• α: 90°
• β: 95.357 ± 0.002°
• γ: 90°
• Cell volume: 2950.81 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.055
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No