Information card for entry 7012500

Structure parameters

• Formula: C18 H33 Cl2 N5 Ni O8
• Calculated formula: C18 H33 Cl2 N5 Ni O8
• SMILES: [Ni]1234[n]5c6[C@H]([NH]1CCC[N]2(CCC[NH]3[C@@H](c5ccc6)C)CCC[NH2]4)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].[Ni]1234[n]5c6[C@@H]([NH]1CCC[N]2(CCC[NH]3[C@H](c5ccc6)C)CCC[NH2]4)C.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: 9.745 ± 0.003 Å
• b: 16.107 ± 0.003 Å
• c: 8.952 ± 0.003 Å
• α: 105.17 ± 0.02°
• β: 105.66 ± 0.02°
• γ: 88.86 ± 0.02°
• Cell volume: 1303.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1325
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1532
• Weighted residual factors for all reflections included in the refinement: 0.1848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No