Information card for entry 7019623

Structure parameters

• Formula: C16 H30 N2 O4 Ru
• Calculated formula: C16 H30 N2 O4 Ru
• SMILES: [Ru]123([N](C)(CC[N]1(C)C)C)(OC(=CC(=[O]3)C)C)[O]=C(C)C=C(O2)C
• Title of publication: Synthesis and X-ray structure of ruthenium bis(acetylacetonate)(N,N,N',N'-tetramethylethylenediamine).
• Authors of publication: Halbach, Robert L.; Nocton, Grégory; Andersen, Richard A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 29
• Pages of publication: 8809 - 8812
• a: 7.9351 ± 0.0003 Å
• b: 9.8757 ± 0.0004 Å
• c: 13.0361 ± 0.0006 Å
• α: 75.572 ± 0.001°
• β: 88.322 ± 0.001°
• γ: 70.24 ± 0.001°
• Cell volume: 929.4 ± 0.07 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: 0.0293
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.0569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No