Information card for entry 4076329

Structure parameters

• Formula: C15 H17 Cl N4 O4 Ru
• Calculated formula: C15 H17 Cl N4 O4 Ru
• SMILES: C1(=O)C2(C)n3c(cc(C)[n]3[Ru](C#[O])(C#[O])(Cl)([n]3c(C)cc(C)n23)O1)C
• 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: 8.2954 ± 0.0007 Å
• b: 9.6359 ± 0.0004 Å
• c: 11.5264 ± 0.0007 Å
• α: 106.284 ± 0.005°
• β: 99.128 ± 0.006°
• γ: 104.417 ± 0.004°
• Cell volume: 830.27 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0265
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0573
• Weighted residual factors for all reflections included in the refinement: 0.0588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No