Information card for entry 4300090

Structure parameters

• Formula: C47 H40 Cl2 Cr3 N12
• Calculated formula: C47 H40 Cl2 Cr3 N12
• SMILES: [Cr]12345([Cr]6789[Cr]1(Cl)([n]1c(N6c6[n]2cccc6)cccc1)([n]1c(N7c2[n]3cccc2)cccc1)([n]1c(N8c2[n]4cccc2)cccc1)[n]1c(N9c2[n]5cccc2)cccc1)Cl.c1ccccc1C
• Title of publication: Linear Trichromium Complexes with Direct Cr to Cr Contacts. 1. Compounds with Cr3(dipyridylamide)42+ 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: 748 - 751
• a: 18.475 ± 0.002 Å
• b: 14.965 ± 0.004 Å
• c: 16.469 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4553.3 ± 1.4 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for all reflections: 0.1236
• Weighted residual factors for significantly intense reflections: 0.1127
• Goodness-of-fit parameter for all reflections: 1.063
• Goodness-of-fit parameter for significantly intense reflections: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No