Information card for entry 7713744

Structure parameters

• Common name: Complex1
• Chemical name: Co4
• Formula: C28 H46 Cl2 Co4 N4 O14
• Calculated formula: C28 H46 Cl2 Co4 N4 O14
• Title of publication: A tetracobalt(II) cluster with a two vertex truncated dicubane topology endogenously supported by carboxylate-based (2-pyridyl)methylamine ligands: magneto-structural and DFT studies.
• Authors of publication: Kant, Shashi; Saha, Sayan; Lloret, Francesc; Cano, Joan; Mukherjee, Rabindranath
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• a: 7.694 ± 0.005 Å
• b: 13.188 ± 0.005 Å
• c: 18.365 ± 0.005 Å
• α: 90°
• β: 96.099 ± 0.005°
• γ: 90°
• Cell volume: 1852.9 ± 1.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0546
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No