Information card for entry 4310155

Structure parameters

• Common name: [Cu(DIPMAP)Br]Br.0.175H2O
• Formula: C27 H34.45 Br2 Cu N4 O1.17
• Calculated formula: C27 H34 Br2 Cu N4 O1.175
• 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: 22.46 ± 0.003 Å
• b: 8.8356 ± 0.001 Å
• c: 29.944 ± 0.003 Å
• α: 90°
• β: 111.318 ± 0.002°
• γ: 90°
• Cell volume: 5535.7 ± 1.1 ų
• Cell temperature: 91 ± 2 K
• Ambient diffraction temperature: 91 ± 2 K
• Number of distinct elements: 6
• 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: 0.1364
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 0.803
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No