Information card for entry 1100144

Structure parameters

• Formula: C18 H24 Co N10 O12
• Calculated formula: C18 H24 Co N10 O12
• SMILES: [Co]14([O]=C2NC(=O)N(C)c3c2[n]1c(C)c(C)n3)([O]=C2NC(=O)N(C)c3c2[n]4c(C)c(C)n3)([OH2])[OH2].N(=O)(=O)[O-].N(=O)(=O)[O-]
• Authors of publication: Esther R. Acuna-Cueva; Rene Faure; Nuria A. Illan-Cabeza; Sonia B. Jimenez-Pulido; Miguel N. Moreno-Carretero; Miguel Quiros
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2003
• Journal volume: 342
• Pages of publication: 209 - 218
• a: 13.2319 ± 0.0009 Å
• b: 8.1677 ± 0.0007 Å
• c: 12.9061 ± 0.0009 Å
• α: 90°
• β: 109.305 ± 0.005°
• γ: 90°
• Cell volume: 1316.39 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1266
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No