Information card for entry 1520608

Structure parameters

• Formula: C26 H28 Cl3 Cr N6 O12
• Calculated formula: C26 Cl3 Cr N6 O12
• SMILES: [Cr]12345[n]6c(cccc6)C[N]4(CC[N]5(Cc4[n]3cccc4)Cc3[n]2cccc3)Cc2[n]1cccc2.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Chromium(III) Complexes of the Hexadentate Ligand N,N,N',N'- Tetrakis(2-pyridylmethyl)ethane-1,2-diamine. Synthesis, Structure and Reactivity
• Authors of publication: Eriksen, J.; Goodson, P.; Hazell, A.; Hodgson, D. J.; Michelsen, K.; Monsted, O.; Rasmussen, J. C.; Toftlund, H.
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1999
• Journal volume: 53
• Pages of publication: 1083 - 1092
• a: 9.78 ± 0.002 Å
• b: 18.702 ± 0.004 Å
• c: 18.323 ± 0.004 Å
• α: 90°
• β: 93.78 ± 0.03°
• γ: 90°
• Cell volume: 3344.1 ± 1.2 ų
• Ambient diffraction temperature: 293 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 significantly intense reflections: 0.069
• Weighted residual factors for significantly intense reflections: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.24
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No