Information card for entry 1520607

Structure parameters

• Formula: C28 H33 Cl2 Cr N6 O11
• Calculated formula: C28 Cl2 Cr N6 O11
• SMILES: [Cr]1234(OC(=O)C)[N](CC[N]3(Cc3[n]4cccc3)Cc3ncccc3)(Cc3[n]1cccc3)Cc1[n]2cccc1.Cl(=O)(=O)(=O)[O-].Cl(=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: 12.414 ± 0.003 Å
• b: 10.74 ± 0.002 Å
• c: 13.682 ± 0.003 Å
• α: 75.05 ± 0.01°
• β: 109.38 ± 0.01°
• γ: 109.6 ± 0.01°
• Cell volume: 1598.9 ± 0.6 ų
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.051
• 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