Information card for entry 7025040

Structure parameters

• Formula: C96 H142 Cu4 K0 Mo3 N32 O54 Tb4
• Calculated formula: C96 H72 Cu4 Mo3 N32 O51 Tb4
• Title of publication: Heterotrimetallic 3d-4d-4f decanuclear metal-capped square showing single-molecule magnet behavior.
• Authors of publication: Long, Jérôme; Chamoreau, Lise-Marie; Marvaud, Valérie
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 9
• Pages of publication: 2188 - 2190
• a: 24.531 ± 0.003 Å
• b: 14.956 ± 0.002 Å
• c: 19.283 ± 0.002 Å
• α: 90°
• β: 107.093 ± 0.011°
• γ: 90°
• Cell volume: 6762.2 ± 1.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• 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: 0.1363
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No