Information card for entry 4325484

Structure parameters

• Formula: C38 H42 Cl2 Co N14 O8
• Calculated formula: C38 H42 Cl2 Co N14 O8
• SMILES: [Co]12([N]#CC)([N]#CC)([N]#CC)[n]3c(CN(Cc4[n]1nn(c4)Cc1ccccc1)Cc1[n]2nn(c1)Cc1ccccc1)cn(n3)Cc1ccccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].N#CC
• 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: 12.4046 ± 0.0019 Å
• b: 12.482 ± 0.002 Å
• c: 17.162 ± 0.003 Å
• α: 79.928 ± 0.014°
• β: 78.168 ± 0.011°
• γ: 60.612 ± 0.013°
• Cell volume: 2257.5 ± 0.7 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: 0.0648
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No