Information card for entry 4307924

Structure parameters

• Formula: C25 H42 Cl4 Cu2 N12 O20
• Calculated formula: C25 H42 Cl4 Cu2 N12 O20
• Title of publication: Oligonuclear Copper Complexes of a Bioinspired Pyrazolate-Bridging Ligand: Synthesis, Structures, and Equilibria in Solution
• Authors of publication: Angelina Prokofieva; Alexander I. Prikhod'ko; Eva Anna Enyedy; Etelka Farkas; Walter Maringgele; Serhiy Demeshko; Sebastian Dechert; Franc Meyer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 4298 - 4307
• a: 18.1999 ± 0.0008 Å
• b: 17.0313 ± 0.0005 Å
• c: 26.7503 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8291.7 ± 0.5 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0806
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No