Information card for entry 7017839

Structure parameters

• Formula: C44 H80 Mn2 N6 Ni4 O28
• Calculated formula: C44 H80.014 Mn2 N6 Ni4 O28.014
• Title of publication: Structure and magnetic exchange in heterometallic 3d-3d transition metal triethanolamine clusters.
• Authors of publication: Langley, Stuart K.; Chilton, Nicholas F.; Moubaraki, Boujemaa; Murray, Keith S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 3
• Pages of publication: 1033 - 1046
• a: 10.2228 ± 0.0003 Å
• b: 10.7616 ± 0.0004 Å
• c: 14.12 ± 0.0004 Å
• α: 95.028 ± 0.002°
• β: 108.896 ± 0.002°
• γ: 90.062 ± 0.002°
• Cell volume: 1463.31 ± 0.08 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1802
• Weighted residual factors for all reflections included in the refinement: 0.1856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No