Information card for entry 1512626

Structure parameters

• Formula: C12 H22 Cl2 Cu N2 O6
• Calculated formula: C12 H22 Cl2 Cu N2 O6
• SMILES: [Cu]1(Cl)(Cl)([O]=C(OC)[C@H]2[NH]1CO[C@@H]2C)[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: 8.4261 ± 0.0019 Å
• b: 10.766 ± 0.004 Å
• c: 19.767 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1793.2 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No