Information card for entry 4325485

Structure parameters

• Formula: C60 H60 Cl2 Co N20 O8
• Calculated formula: C60 H60 Cl2 Co N20 O8
• SMILES: Cl(=O)(=O)(=O)[O-].[Co]1234([n]5c(cn(Cc6ccccc6)n5)C[N]1(Cc1cn(Cc5ccccc5)n[n]31)Cc1cn(Cc3ccccc3)nn1)[N](Cc1cn(Cc3ccccc3)n[n]21)(Cc1cn(Cc2ccccc2)n[n]41)Cc1cn(Cc2ccccc2)nn1.Cl(=O)(=O)(=O)[O-]
• Title of publication: Cobalt Complexes with "Click"-Derived Functional Tripodal Ligands: Spin Crossover and Coordination Ambivalence
• Authors of publication: David Schweinfurth; Fritz Weisser; Denis Bubrin; Lapo Bogani; Biprajit Sarkar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 6114 - 6121
• a: 10.1818 ± 0.0015 Å
• b: 11.4013 ± 0.0018 Å
• c: 13.982 ± 0.002 Å
• α: 94.385 ± 0.011°
• β: 104.667 ± 0.009°
• γ: 93.441 ± 0.012°
• Cell volume: 1560.3 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No