Information card for entry 4346642

Structure parameters

• Formula: C66 H102 N2 O16 Ru2
• Calculated formula: C66 H102 N2 O16 Ru2
• Title of publication: Noninnocently Behaving Bridging Anions of the Widely Distributed Antioxidant Ellagic Acid in Diruthenium Complexes.
• Authors of publication: Mandal, Abhishek; Grupp, Anita; Schwederski, Brigitte; Kaim, Wolfgang; Lahiri, Goutam Kumar
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 20
• Pages of publication: 10049 - 10057
• a: 13.076 ± 0.004 Å
• b: 16.683 ± 0.006 Å
• c: 16.769 ± 0.006 Å
• α: 111.103 ± 0.006°
• β: 94.397 ± 0.004°
• γ: 90.941 ± 0.004°
• Cell volume: 3399 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.06
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.1328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No