Information card for entry 4338947

Structure parameters

• Chemical name: tetrakis(m\3-oxo)tetrakis(μ-acetato)tetrakispyridine tetracobalt(III) NaClO~4~ 3.5H~2~O
• Formula: C28 H32 Cl Co4 N4 Na O19.5
• Calculated formula: C28 H26 Cl Co4 N4 Na O19.5
• SMILES: C1(=[O][Co]234([n]5ccccc5)[O]5[Co]678([n]9ccccc9)[O]2[Co]2(OC(=[O]6)C)([n]6ccccc6)([O]4[Co]5([n]4ccccc4)([O]82)(O1)OC(=[O]7)C)[O]=C(O3)C)C.Cl(=O)(=O)(=O)[O-].[Na+].O.O.O.O
• Title of publication: Synthesis, structure, spectral and electrochemical properties, and catalytic use of cobalt(III)-oxo cubane clusters.
• Authors of publication: Chakrabarty, Rajesh; Bora, Sanchay J.; Das, Birinchi K.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 22
• Pages of publication: 9450 - 9462
• a: 12.398 ± 0.004 Å
• b: 12.398 ± 0.004 Å
• c: 53.97 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8296 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1225
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No