Information card for entry 4310153

Structure parameters

• Common name: [Li(DIPMAP)Cu(I)Cl]2.2CH3CN
• Formula: C58 H72 Cl2 Cu2 Li2 N10 O2
• Calculated formula: C58 H72 Cl2 Cu2 Li2 N10 O2
• SMILES: [Cu](Cl)[N](c1c(cccc1C(C)C)C(C)C)=C1[O]2[Li]34([N](CC1)(Cc1[n]3cccc1)Cc1[n]4cccc1)[O]1[Li]342[N](CCC1=[N]([Cu]Cl)c1c(cccc1C(C)C)C(C)C)(Cc1[n]3cccc1)Cc1[n]4cccc1.N#CC.N#CC
• 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: 10.3087 ± 0.0008 Å
• b: 22.191 ± 0.002 Å
• c: 12.829 ± 0.0009 Å
• α: 90°
• β: 100.16 ± 0.007°
• γ: 90°
• Cell volume: 2888.7 ± 0.4 ų
• Cell temperature: 91 ± 2 K
• Ambient diffraction temperature: 91 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0747
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No