Information card for entry 4113505

Structure parameters

• Formula: C18 H30 Cl2 Co N12 O8
• Calculated formula: C18 H30 Cl2 Co N12 O8
• SMILES: C1CNC2C3=[N](CCN3)[Co]34([N]1=2)([N]1CCNC=1C1=[N]3CCN1)[N]1CCNC=1C1=[N]4CCN1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Electron and Hydrogen-Atom Self-Exchange Reactions of Iron and Cobalt Coordination Complexes
• Authors of publication: Jeffrey C. Yoder; Justine P. Roth; Emily M. Gussenhoven; Anna S. Larsen; James M. Mayer
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 2629 - 2640
• a: 13.316 ± 0.001 Å
• b: 13.5443 ± 0.0012 Å
• c: 16.085 ± 0.0013 Å
• α: 90°
• β: 108.467 ± 0.005°
• γ: 90°
• Cell volume: 2751.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0785
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71074 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No