Information card for entry 4310152

Structure parameters

• Common name: (DIPMAP)Cu(I)Cl.n-BuCN
• Formula: C31 H41 Cl Cu N5 O
• Calculated formula: C31 H41 Cl Cu N5 O
• SMILES: [Cu]12(Cl)[N](Cc3[n]1cccc3)(Cc1[n]2cccc1)CCC(=O)Nc1c(cccc1C(C)C)C(C)C.N#CCCC
• Title of publication: Copper(I) and -(II) Complexes of Neutral and Deprotonated N-(2,6-Diisopropylphenyl)-3-[bis(2-pyridylmethyl)amino]propanamide
• Authors of publication: Timothy E. Patten; Christina Troeltzsch; Marilyn M. Olmstead
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 9197 - 9206
• a: 8.5385 ± 0.0006 Å
• b: 9.6593 ± 0.0006 Å
• c: 9.837 ± 0.0007 Å
• α: 103.197 ± 0.001°
• β: 106.646 ± 0.001°
• γ: 94.001 ± 0.001°
• Cell volume: 748.8 ± 0.09 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0277
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0725
• Weighted residual factors for all reflections included in the refinement: 0.0728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No