Information card for entry 7021090

Structure parameters

• Formula: C26 H40 Co4 N10 O18
• Calculated formula: C26 H40 Co4 N10 O18
• SMILES: C1C[N]23CC[O]4[Co]563([n]3ccccc3)[O]1[Co]1([O]3CC[N]78CC[O]([Co]437([n]3ccccc3)[O]5CC8)[Co]3([O]6CC2)(ON(=[O]3)=O)ON(=O)=O)(ON(=[O]1)=O)ON(=O)=O.N#CC.N#CC
• Title of publication: Defective dicubanes of Co(II)/Co(III) complexes with triethanolamine and N-donors.
• Authors of publication: Hosseinian, S R; Tangoulis, V; Menelaou, M; Raptopoulou, C P; Psycharis, V; Dendrinou-Samara, C
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 15
• Pages of publication: 5355 - 5366
• a: 8.5625 ± 0.0001 Å
• b: 10.6064 ± 0.0001 Å
• c: 11.8189 ± 0.0002 Å
• α: 112.827 ± 0.001°
• β: 91.391 ± 0.001°
• γ: 105.322 ± 0.001°
• Cell volume: 944.38 ± 0.02 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 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: 0.1004
• Residual factor for significantly intense reflections: 0.0777
• Weighted residual factors for significantly intense reflections: 0.1792
• Weighted residual factors for all reflections included in the refinement: 0.1945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No