Information card for entry 7012502

Structure parameters

• Formula: C20 H37 Cl3 Cu N6 O12
• Calculated formula: C20 H37 Cl3 Cu N6 O12
• 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: 9.0975 ± 0.0013 Å
• b: 11.9637 ± 0.0017 Å
• c: 13.886 ± 0.002 Å
• α: 91.287 ± 0.003°
• β: 94.926 ± 0.003°
• γ: 95.545 ± 0.004°
• Cell volume: 1498 ± 0.4 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: 0.082
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1726
• Weighted residual factors for all reflections included in the refinement: 0.1849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No