Information card for entry 1519330

Structure parameters

• Formula: C28 H26 Cl2 Cu N4 O10
• Calculated formula: C28 H26 Cl2 Cu N4 O10
• SMILES: [Cu]1234[O](CC[N]2(Cc2[n]1cccc2)CCOc1c2[n]4cccc2ccc1)c1c2[n]3cccc2ccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: C28H26Cl2CuN4O10
• Authors of publication: Amoroso, Angelo; Gelbrich, Thomas; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2001
• Pages of publication: 832
• a: 11.024 ± 0.0006 Å
• b: 12.5301 ± 0.0008 Å
• c: 21.163 ± 0.0014 Å
• α: 90°
• β: 96.56 ± 0.002°
• γ: 90°
• Cell volume: 2904.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0978
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No