Information card for entry 4319419

Structure parameters

• Formula: C46 H36 Cl4 Co3 N18
• Calculated formula: C46 H36 Cl4 Co3 N18
• SMILES: [Co]1234([Co]5678[Co]([n]9c(N5c5[n]1cccc5)cccc9)([n]1c(N6c5[n]2cccc5)cccc1)([n]1c(N7c2[n]3cccc2)cccc1)([n]1c(N8c2[n]4cccc2)cccc1)N=C=NC#N)N=C=NC#N.C(Cl)Cl.C(Cl)Cl
• 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: 18.582 ± 0.005 Å
• b: 13.632 ± 0.002 Å
• c: 19.622 ± 0.002 Å
• α: 90°
• β: 105.08 ± 0.01°
• γ: 90°
• Cell volume: 4799.3 ± 1.6 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.0626
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for all reflections: 0.1408
• Weighted residual factors for significantly intense reflections: 0.1282
• Goodness-of-fit parameter for all reflections: 1.081
• Goodness-of-fit parameter for significantly intense reflections: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No