Information card for entry 4319416

Structure parameters

• Formula: C62 H72 Co3 N14 O5 S2
• Calculated formula: C62 H64 Co3 N14 O5 S2
• Title of publication: Compounds with Symmetrical Tricobalt Chains Wrapped by Dipyridylamide Ligands and Cyanide or Isothiocyanate Ions as Terminal Ligands
• Authors of publication: Rodolphe Clérac; F. Albert Cotton; Stephen P. Jeffery; Carlos A. Murillo; Xiaoping Wang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 1265 - 1270
• a: 12.161 ± 0.001 Å
• b: 13.894 ± 0.002 Å
• c: 19.905 ± 0.002 Å
• α: 71.8 ± 0.002°
• β: 81.725 ± 0.002°
• γ: 77.28 ± 0.002°
• Cell volume: 3106.3 ± 0.6 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.1213
• Residual factor for significantly intense reflections: 0.082
• Weighted residual factors for all reflections: 0.201
• Weighted residual factors for significantly intense reflections: 0.1856
• Goodness-of-fit parameter for all reflections: 1.184
• Goodness-of-fit parameter for significantly intense reflections: 1.349
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No