Information card for entry 7024417

Structure parameters

• Formula: C144 H220 Co3 N6 O12
• Calculated formula: C114 H150 Co3 N6 O12
• Title of publication: Solvation effects on the valence tautomeric transition of a cobalt complex in the solid state
• Authors of publication: Mulyana, Yanyan; Poneti, Giordano; Moubaraki, Boujemaa; Murray, Keith S.; Abrahams, Brendan F.; Sorace, Lorenzo; Boskovic, Colette
• Journal of publication: Dalton Transactions
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 20
• Pages of publication: 4757
• a: 20.72 ± 0.004 Å
• b: 15.66 ± 0.003 Å
• c: 22.57 ± 0.005 Å
• α: 90°
• β: 105.97 ± 0.03°
• γ: 90°
• Cell volume: 7041 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0728
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1626
• Weighted residual factors for all reflections included in the refinement: 0.1717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.73444 Å
• Diffraction radiation type: synchrotronradiation
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No