Information card for entry 8102035

Structure parameters

• Chemical name: acetato-μ-N,N'-bis(salicylidene)-3-methyl-3-aza-1,5-pentanediaminocobalt(III)
• Formula: C23 H28 Co N3 O4
• Calculated formula: C23 H28 Co N3 O4
• SMILES: [Co]123(OC(=O)C)Oc4ccccc4C=[N]2CCCN(C)CCC[N]3=Cc2ccccc2O1
• Title of publication: Crystal structure of acetato-μ-N,N'-bis(salicylidene)-3-methyl- 3-aza-1,5-pentanediaminocobalt(III), Co(C~2~H~3~O~2~)(C~21~H~25~N~3~O~2~)
• Authors of publication: Xu, S.-P.; Liu, C.-H.; Wang, S.-F.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 3
• Pages of publication: 409 - 410
• a: 9.4 ± 0.004 Å
• b: 19.203 ± 0.005 Å
• c: 12.112 ± 0.005 Å
• α: 90°
• β: 92.33°
• γ: 90°
• Cell volume: 2184.5 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0866
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1836
• Weighted residual factors for all reflections included in the refinement: 0.202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No