Information card for entry 1520610

Structure parameters

• Formula: C26 H36 Cl Cr N6 O9
• Calculated formula: C26 Cl Cr N6 O9
• SMILES: [Cr]123(O)(O)[N](CC[N]2(Cc2[n]3cccc2)Cc2ncccc2)(Cc2[n]1cccc2)Cc1ncccc1.Cl(=O)(=O)(=O)[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: 9.6166 ± 0.0004 Å
• b: 16.119 ± 0.001 Å
• c: 19.445 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3014.2 ± 0.3 ų
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.04
• Goodness-of-fit parameter for all reflections included in the refinement: 2.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No