Information card for entry 7013567

Structure parameters

• Common name: (Bis(2-(pyridin-2-yl)ethyl)amine)dichlorocopper(ii)
• Chemical name: [Bis(2-{pyridin-2-yl}ethyl)amine]dichlorocopper(II)
• Formula: C14 H17 Cl2 Cu N3
• Calculated formula: C14 H17 Cl2 Cu N3
• SMILES: [Cu]12([NH](CCc3[n]1cccc3)CCc1[n]2cccc1)(Cl)Cl
• Title of publication: A new synthesis of bis(2-{pyrid-2-yl}ethyl)amine (LH) from bis(2-{pyrid-2-yl}ethyl)hydroxylamine (LOH), and the copper-dependent reduction of LOH to LHElectronic supplementary information (ESI) available: Full synthetic procedures and analytical data for the compounds in this study. See http://www.rsc.org/suppdata/dt/b3/b310144d/
• Authors of publication: Leaver, Stewart A.; Palaniandavar, Mallayan; Kilner, Colin A.; Halcrow, Malcolm A.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 22
• Pages of publication: 4224
• a: 28.1563 ± 0.0004 Å
• b: 7.7451 ± 0.0001 Å
• c: 14.2271 ± 0.0002 Å
• α: 90°
• β: 104.429 ± 0.0005°
• γ: 90°
• Cell volume: 3004.68 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0794
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1592
• Weighted residual factors for all reflections included in the refinement: 0.1655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.218
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No