Information card for entry 4332891

Structure parameters

• Formula: C31 H34 Co3 N14 O6
• Calculated formula: C31 H34 Co3 N14 O6
• SMILES: [Co]123([n]4ccccc4)([n]4ccccc4)[O]=C(O[Co]56([N]1(=N#N)[Co]([O]=C(O3)C)([N]5=N#N)([n]1ccccc1)(OC(C)=[O]6)[n]1ccccc1)([N]2=N#N)[n]1ccccc1)C
• Title of publication: High-Spin M2+Carboxylate Triangles from the Microwave
• Authors of publication: Milios, Constantinos J.; Prescimone, Alessandro; Sanchez-Benitez, J.; Parsons, Simon; Murrie, Mark; Brechin, Euan K.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 18
• Pages of publication: 7053 - 7055
• a: 10.645 ± 0.0002 Å
• b: 13.715 ± 0.0003 Å
• c: 25.4911 ± 0.0005 Å
• α: 90°
• β: 100.113 ± 0.001°
• γ: 90°
• Cell volume: 3663.78 ± 0.13 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0667
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for all reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 0.7464
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No