Information card for entry 7005692

Structure parameters

• Formula: C11 H25 Cl4 Co N4 O2 Zn
• Calculated formula: C12 H25 Cl4 Co N4 O2 Zn
• SMILES: C1C[N]23CC[NH]4[Co]563([NH]1CC[N]5(CC4)CCC2)[O]=CO6.[Zn](Cl)(Cl)([Cl-])[Cl-]
• Title of publication: Bowl adamanzanes‒bicyclic tetraamines: syntheses and crystal structures of complexes with cobalt(III) and chelating coordinated oxo-anions.
• Authors of publication: Broge, Louise; Søtofte, Inger; Jensen, Kristian; Jensen, Nicolai; Pretzmann, Ulla; Springborg, Johan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 34
• Pages of publication: 3826 - 3839
• a: 17.2058 ± 0.0007 Å
• b: 11.4473 ± 0.0005 Å
• c: 9.5525 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1881.46 ± 0.14 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0208
• Residual factor for significantly intense reflections: 0.0195
• Weighted residual factors for significantly intense reflections: 0.0483
• Weighted residual factors for all reflections included in the refinement: 0.049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No