Information card for entry 4337752

Structure parameters

• Chemical name: Tetrabutylammonium trichlorido-L-threoninato-nitrosyl-ruthenate(III)
• Formula: C20 H44 Cl3 N3 O4 Ru
• Calculated formula: C20 H44 Cl3 N3 O4 Ru
• SMILES: [Ru]1(Cl)(Cl)(Cl)(OC(=O)[C@@H]([NH2]1)[C@H](O)C)N=O.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Ruthenium-Nitrosyl Complexes with Glycine, l-Alanine, l-Valine, l-Proline, d-Proline, l-Serine, l-Threonine, and l-Tyrosine: Synthesis, X-ray Diffraction Structures, Spectroscopic and Electrochemical Properties, and Antiproliferative Activity.
• Authors of publication: Rathgeb, Anna; Böhm, Andreas; Novak, Maria S.; Gavriluta, Anatolie; Dömötör, Orsolya; Tommasino, Jean Bernard; Enyedy, Eva A.; Shova, Sergiu; Meier, Samuel; Jakupec, Michael A.; Luneau, Dominique; Arion, Vladimir B.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 5
• Pages of publication: 2718 - 2729
• a: 12.6677 ± 0.0012 Å
• b: 10.7195 ± 0.001 Å
• c: 20.253 ± 0.002 Å
• α: 90°
• β: 102.943 ± 0.005°
• γ: 90°
• Cell volume: 2680.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No