Information card for entry 7038246

Structure parameters

• Formula: C22 H24 Cl2 N2 O2 Ru
• Calculated formula: C22 H24 Cl2 N2 O2 Ru
• SMILES: [Ru]123456(Cl)(Oc7n(c8ccccc8)nc(C)c7C(=[O]1)CCl)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C)C(C)C
• Title of publication: Self-assembly of arene ruthenium acylpyrazolone fragments to tetranuclear metallacycles. Molecular structures and solid-state (15)N CPMAS NMR correlations.
• Authors of publication: Pettinari, Riccardo; Marchetti, Fabio; Pettinari, Claudio; Condello, Francesca; Skelton, Brian W.; White, Allan H.; Chierotti, Michele R.; Gobetto, Roberto
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 9
• Pages of publication: 3974 - 3982
• a: 7.5449 ± 0.0003 Å
• b: 12.0143 ± 0.0004 Å
• c: 12.9409 ± 0.0005 Å
• α: 112.841 ± 0.004°
• β: 95.967 ± 0.003°
• γ: 103.15 ± 0.003°
• Cell volume: 1028.27 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No