Information card for entry 4310154

Structure parameters

• Common name: [(DIPMAP)Cu(I)]2
• Formula: C54 H66 Cu2 N8 O2
• Calculated formula: C54 H66 Cu2 N8 O2
• SMILES: C1c2cccc[n]2[Cu]23[N]1(Cc1[n]2cccc1)CCC(=O)N(c1c(cccc1C(C)C)C(C)C)[Cu]12[n]4c(C[N]1(Cc1[n]2cccc1)CCC(=O)N3c1c(cccc1C(C)C)C(C)C)cccc4
• 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: 18.948 ± 0.003 Å
• b: 16.282 ± 0.003 Å
• c: 17.272 ± 0.003 Å
• α: 90°
• β: 112.815 ± 0.004°
• γ: 90°
• Cell volume: 4911.7 ± 1.5 ų
• Cell temperature: 92 ± 2 K
• Ambient diffraction temperature: 92 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No