Information card for entry 2004268

Structure parameters

• Formula: C24 H40 Co N5 O4
• Calculated formula: C24 H40 Co N5 O4
• SMILES: [Co]12([N](=C(C(=[N]1O)C)C)O)(N(=C(C(=N2=O)C)C)=O)([n]1ccc(cc1)C(C)(C)C)[C@H](C)CCCC=C
• Title of publication: The Helical Packing of a Chiral Alkyl Cobaloxime in the Solid State
• Authors of publication: Giese, B.; Hartung, J.; Lindner, H.-J.; Svoboda, I.; Paulus, H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 12
• Pages of publication: 2522 - 2524
• a: 12.017 ± 0.001 Å
• b: 12.017 ± 0.001 Å
• c: 32.942 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4119.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for all reflections: 0.1665
• Weighted residual factors for significantly intense reflections: 0.1283
• Goodness-of-fit parameter for all reflections: 1.093
• Goodness-of-fit parameter for significantly intense reflections: 0.941
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No