Information card for entry 4300174

Structure parameters

• Formula: C41 H34 Cl8 Cr3 Fe N12
• Calculated formula: C41 H34 Cl8 Cr3 Fe N12
• SMILES: [Cr]1234([Cr]5678[Cr](Cl)([n]9c(N5c5[n]1cccc5)cccc9)([n]1c(N6c5[n]2cccc5)cccc1)([n]1c(N7c2[n]3cccc2)cccc1)[n]1c(N8c2[n]4cccc2)cccc1)Cl.[Fe](Cl)(Cl)(Cl)[Cl-].C(Cl)Cl
• Title of publication: Linear Trichromium Complexes with Direct Cr to Cr Contacts. 2. Compounds with Cr3(dipyridylamide)43+ Cores
• Authors of publication: Rodolphe Clérac; F. Albert Cotton; Lee M. Daniels; Kim R. Dunbar; Carlos A. Murillo; Isabel Pascual
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 752 - 756
• a: 11.67 ± 0.005 Å
• b: 28.398 ± 0.004 Å
• c: 15.031 ± 0.011 Å
• α: 90°
• β: 104.514 ± 0.011°
• γ: 90°
• Cell volume: 4822 ± 4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0455
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for all reflections: 0.1012
• Weighted residual factors for significantly intense reflections: 0.0949
• Goodness-of-fit parameter for all reflections: 1.084
• Goodness-of-fit parameter for significantly intense reflections: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No