Information card for entry 7029277

Structure parameters

• Formula: C35 H43 Cl1.25 N4 Ni3 O15.5 Tb
• Calculated formula: C34.6 H42.2 Cl1.2 N4 Ni3 O15.4 Tb
• Title of publication: Magnetocaloric effect of a series of remarkably isostructural intermetallic [Ni(II)3Ln(III)] cubane aggregates.
• Authors of publication: Wang, Pei; Shannigrahi, Santiranjan; Yakovlev, Nikolai L.; Hor, T. S. Andy
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 1
• Pages of publication: 182 - 187
• a: 11.4649 ± 0.0009 Å
• b: 18.8485 ± 0.0014 Å
• c: 19.7796 ± 0.0015 Å
• α: 90°
• β: 99.732 ± 0.001°
• γ: 90°
• Cell volume: 4212.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No