Information card for entry 7026762

Structure parameters

• Formula: C22 H40 N9 O12.5 S2 Zn2
• Calculated formula: C22 H35 N9 O12.5 S2 Zn2
• Title of publication: Structural, MALDI-TOF-MS, magnetic and spectroscopic studies of new dinuclear copper(II), cobalt(II) and zinc(II) complexes containing a biomimicking μ-OH bridge.
• Authors of publication: Núñez, Cristina; Bastida, Rufina; Macías, Alejandro; Valencia, Laura; Neuman, Nicolás I; Rizzi, Alberto C.; Brondino, Carlos D.; González, Pablo J; Capelo, José Luis; Lodeiro, Carlos
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 48
• Pages of publication: 11654 - 11663
• a: 17.0556 ± 0.001 Å
• b: 21.0516 ± 0.0008 Å
• c: 9.1488 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3284.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1106
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1289
• Weighted residual factors for all reflections included in the refinement: 0.1608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No