Information card for entry 4300089

Structure parameters

• Formula: C46 H38 Cl2 Cr3 N12
• Calculated formula: C46 H38 Cl2 Cr3 N12
• SMILES: [Cr]2345([Cr]6789[Cr](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.c1ccccc1
• 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: 18.634 ± 0.005 Å
• b: 29.357 ± 0.017 Å
• c: 16.142 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8830 ± 6 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0702
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for all reflections: 0.1366
• Weighted residual factors for significantly intense reflections: 0.1195
• Goodness-of-fit parameter for all reflections: 1.137
• Goodness-of-fit parameter for significantly intense reflections: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No