Information card for entry 7012506

Structure parameters

• Formula: C23 H33 Cl2 Cu N5 O9
• Calculated formula: C23 H33 Cl2 Cu N5 O9
• SMILES: [Cu]123[n]4c5C[NH]2CCC[N]1(CCCNC(=O)c1ccccc1)CCC[NH]3Cc4ccc5.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Nickel(ii) and copper(ii) complexes with pyridine-containing macrocycles bearing an aminopropyl pendant arm: synthesis, characterization, and modifications of the pendant amino groupElectronic supplementary information (ESI) available: colour versions of Figs. 4, 5 and 7. See http://www.rsc.org/suppdata/dt/b2/b211489e/
• Authors of publication: Herrera, Aida M.; Staples, Richard J.; Kryatov, Sergey V.; Nazarenko, Alexander Y.; Rybak-Akimova, Elena V.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 5
• Pages of publication: 846
• a: 8.769 ± 0.006 Å
• b: 11.496 ± 0.008 Å
• c: 15.502 ± 0.011 Å
• α: 69.236 ± 0.014°
• β: 80.586 ± 0.018°
• γ: 76.862 ± 0.019°
• Cell volume: 1417.1 ± 1.7 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 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 all reflections: 0.1645
• Residual factor for significantly intense reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.178
• Weighted residual factors for all reflections included in the refinement: 0.2166
• Goodness-of-fit parameter for all reflections included in the refinement: 0.834
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No