Information card for entry 2202344

Structure parameters

• Formula: C17 H25 Co N6 O9
• Calculated formula: C17 H25 Co N6 O9
• SMILES: [Co]12(N3[C@@H](CO[C@@H]3c3[n]1c(ccc3)[C@H]1OC[C@H](N21)C(C)C)C(C)C)(N(=O)=O)(N(=O)=O)N(=O)=O.O
• Title of publication: {2,6-Bis[(4<i>R</i>)-(+)-4-isopropyl-4,5-dihydro-1,3-oxazol-2-yl]pyridine-κ^3^<i>N</i>}trinitrocobalt(III) monohydrate
• Authors of publication: Panosyan, Francis B.; Lough, Alan J.; Chin, Jik
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 8
• Pages of publication: m695 - m697
• a: 6.7185 ± 0.0003 Å
• b: 16.5766 ± 0.0008 Å
• c: 20.2149 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2251.33 ± 0.19 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• 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: 0.1026
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.134
• Weighted residual factors for all reflections included in the refinement: 0.1533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes