Information card for entry 4076328

Structure parameters

• Formula: C16 H17 Cl7 N4 O4 Ru
• Calculated formula: C16 H17 Cl7 N4 O4 Ru
• SMILES: C1(=O)C2n3c(cc(C)[n]3[Ru](C#[O])(C#[O])(Cl)([n]3c(C)cc(C)n23)O1)C.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Ruthenium Carbonyl Complexes Bearing Bis(pyrazol-1-yl)carboxylato Ligands
• Authors of publication: Türkoglu, Gazi; Tampier, Stefan; Strinitz, Frank; Heinemann, Frank W.; Hübner, Eike; Burzlaff, Nicolai
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 6
• Pages of publication: 2166
• a: 16.671 ± 0.002 Å
• b: 10.964 ± 0.002 Å
• c: 27.6144 ± 0.0018 Å
• α: 90°
• β: 95.12 ± 0.008°
• γ: 90°
• Cell volume: 5027.2 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.206
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No