Information card for entry 1512627

Structure parameters

• Formula: C18 H29 Cl3 N3 O9 Ru
• Calculated formula: C18 H29 Cl3 N3 O9 Ru
• SMILES: [Ru](Cl)(Cl)(Cl)([N]1[C@@H]([C@H](OC=1)C)C(=O)OC)([N]1[C@@H]([C@H](OC=1)C)C(=O)OC)[NH]1[C@@H]([C@H](OC1)C)C(=O)OC
• Title of publication: Synthesis and structural characterization of bis[(4S,5R)-4-methoxycarbonyl- 5-methyl-1,3-oxazolidine]copper(II) dichloride and bis[(4S,5R)-4- methoxycarbonyl-5-methyl-2-oxazoline]-[(4S,5R)-4-methoxycarbonyl-5-methyl-1,3- oxazolidine]ruthenium(III) trichloride
• Authors of publication: Takashi Tsuno; Daiki Kato; Henri Brunner; Hayato Ike
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2012
• Journal volume: 392
• Pages of publication: 331 - 334
• a: 11.019 ± 0.005 Å
• b: 11.209 ± 0.005 Å
• c: 11.378 ± 0.005 Å
• α: 90°
• β: 109.61 ± 0.019°
• γ: 90°
• Cell volume: 1323.8 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0639
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No