Information card for entry 4339182

Structure parameters

• Formula: C50.5 H88 Cl3 Fe3 N20 O14.5
• Calculated formula: C50.5 H84 Cl3 Fe3 N20 O14.5
• Title of publication: A pyrazolate-supported Fe(3)(mu(3)-O) core: structural, spectroscopic, electrochemical, and magnetic study.
• Authors of publication: Piñero, Dalice; Baran, Peter; Boca, Roman; Herchel, Radovan; Klein, Michael; Raptis, Raphael G.; Renz, Franz; Sanakis, Yiannis
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 26
• Pages of publication: 10981 - 10989
• a: 17.811 ± 0.003 Å
• b: 15.399 ± 0.002 Å
• c: 26.573 ± 0.004 Å
• α: 90°
• β: 101.809 ± 0.003°
• γ: 90°
• Cell volume: 7134 ± 1.9 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.131
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1451
• Weighted residual factors for all reflections included in the refinement: 0.1763
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No