Information card for entry 7033510

Structure parameters

• Formula: C35 H46 Co3 N16 O6.25
• Calculated formula: C35 H46 Co3 N16 O6.25
• Title of publication: Unprecedented structural variations in trinuclear mixed valence Co(ii/iii) complexes: theoretical studies, pnicogen bonding interactions and catecholase-like activities.
• Authors of publication: Hazari, Alokesh; Kanta Das, Lakshmi; Kadam, Ramakant M.; Bauzá, Antonio; Frontera, Antonio; Ghosh, Ashutosh
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 8
• Pages of publication: 3862 - 3876
• a: 14.906 ± 0.005 Å
• b: 9.326 ± 0.005 Å
• c: 15.164 ± 0.005 Å
• α: 90 ± 0.005°
• β: 92.428 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2106.1 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No