Information card for entry 7017842

Structure parameters

• Formula: C50 H70 B Co2 F6 Mn3 N9 O18
• Calculated formula: C49.997 H70 B Co2 F6 Mn3 N9 O18
• 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: 13.5301 ± 0.0003 Å
• b: 17.974 ± 0.0004 Å
• c: 48.5907 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11816.8 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1045
• Residual factor for significantly intense reflections: 0.0869
• Weighted residual factors for significantly intense reflections: 0.1762
• Weighted residual factors for all reflections included in the refinement: 0.1855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No