Information card for entry 7021092

Structure parameters

• Formula: C66 H74 Co4 N16 O22
• Calculated formula: C66 H66 Co4 N16 O22
• 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: 11.3408 ± 0.0002 Å
• b: 26.0914 ± 0.0004 Å
• c: 13.6498 ± 0.0002 Å
• α: 90°
• β: 116.305 ± 0.001°
• γ: 90°
• Cell volume: 3620.7 ± 0.1 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No