Information card for entry 2311545

Structure parameters

• Chemical name: Bis{μ~2~-2,2'-[(4,10-dimethyl-1,4,7,10-tetraazacyclododecane-1,7-diyl)bis(methylene)]bis(4-oxo-4<i>H</i>-pyran-3-olato)}dicobaltcalcium bis(perchlorate) 1.36-hydrate
• Formula: C44 H60 Ca Cl2 Co2 N8 O21.36
• Calculated formula: C44 H60 Ca Cl2 Co2 N8 O21.36
• Title of publication: Crystal structure of bis-{μ₂-2,2'-[(4,10-dimethyl-1,4,7,10-tetra-aza-cyclo-dodecane-1,7-di-yl)bis(meth-yl-ene)]bis-(4-oxo-4<i>H</i>-pyran-3-olato)}dicobalt-calcium bis-(perchlorate) 1.36-hydrate.
• Authors of publication: Rossi, Patrizia; Macedi, Eleonora; Paoli, Paola; Giorgi, Luca; Formica, Mauro; Fusi, Vieri
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 12
• Pages of publication: 1959 - 1965
• a: 8.9799 ± 0.0004 Å
• b: 8.9799 ± 0.0004 Å
• c: 32.555 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2625.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0888
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 0.858
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No