Information card for entry 4329129

Structure parameters

• Common name: compound 2
• Formula: C44 H56 Cl2 Cu2 N4 O16 S4
• Calculated formula: C44 H56 Cl2 Cu2 N4 O16 S4
• Title of publication: Dinuclear Cu(II) Complexes of Isomeric Bis-(3-acetylacetonate)benzene Ligands: Synthesis, Structure, and Magnetic Properties
• Authors of publication: Marzio Rancan; Alessandro Dolmella; Roberta Seraglia; Simonetta Orlandi; Silvio Quici; Lorenzo Sorace; Dante Gatteschi; Lidia Armelao
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 5409 - 5416
• a: 12.334 ± 0.0006 Å
• b: 13.2732 ± 0.0005 Å
• c: 18.3581 ± 0.001 Å
• α: 78.327 ± 0.004°
• β: 81.739 ± 0.004°
• γ: 64.461 ± 0.004°
• Cell volume: 2650.3 ± 0.2 ų
• Cell temperature: 140 K
• Ambient diffraction temperature: 140 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.2164
• Weighted residual factors for all reflections included in the refinement: 0.224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No