Information card for entry 4073284

Structure parameters

• Formula: C45 H54 N3 O6 P Ru
• Calculated formula: C45 H54 N3 O6 P Ru
• SMILES: [Ru]12([P](C3CCCCC3)(C3CCCCC3)C3CCCCC3)([N](Cc3c(O1)ccc(N(=O)=O)c3)(Cc1c(O2)ccc(N(=O)=O)c1)c1ccccc1)=Cc1ccccc1
• Title of publication: Ruthenium Alkylidene Complexes of Chelating Amine Ligands
• Authors of publication: Occhipinti, Giovanni; Bjørsvik, Hans-René; Törnroos, Karl Wilhelm; Jensen, Vidar R.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 24
• Pages of publication: 5803
• a: 27.083 ± 0.003 Å
• b: 25.022 ± 0.003 Å
• c: 20.657 ± 0.003 Å
• α: 90°
• β: 92.588 ± 0.006°
• γ: 90°
• Cell volume: 13984 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1967
• Residual factor for significantly intense reflections: 0.091
• Weighted residual factors for significantly intense reflections: 0.2151
• Weighted residual factors for all reflections included in the refinement: 0.2545
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No