Information card for entry 4320223

Structure parameters

• Chemical name: mu(1,1)-(N,N'-bis(5-methylimidazole-4-ylmethyl)-1,3-diaminopropane-2-alkoxo) mu(1,3)-diphenilphosphato dicopper(II) diperchlorate hemihidrate
• Formula: C36 H93 Cu5 N15 O35
• Calculated formula: C36 H72 Cu5 N15 O35
• Title of publication: Highly Efficient Phosphodiester Hydrolysis Promoted by a Dinuclear Copper(II) Complex
• Authors of publication: Tamás Gajda; Yvonne Düpre; Ibolya Török; Jeffrey Harmer; Arthur Schweiger; Jürgen Sander; Dirk Kuppert; Kaspar Hegetschweiler
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 4918 - 4927
• a: 11.551 ± 0.002 Å
• b: 12.542 ± 0.003 Å
• c: 26.657 ± 0.005 Å
• α: 93.14 ± 0.03°
• β: 95.3 ± 0.03°
• γ: 116.51 ± 0.03°
• Cell volume: 3421 ± 1.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1338
• Residual factor for significantly intense reflections: 0.0843
• Weighted residual factors for significantly intense reflections: 0.2375
• Weighted residual factors for all reflections included in the refinement: 0.2642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No