Information card for entry 4317905

Structure parameters

• Formula: C37 H50 Cl3 Mn2 N11 O12
• Calculated formula: C37 H50 Cl3 Mn2 N11 O12
• Title of publication: Structure and Magnetism of Heptanuclear Complexes Formed on Encapsulation of Hexacyanoferrate(II) with the Mn(II) and Ni(II) Complexes of 1,4-Bis(2-pyridylmethyl)-1,4,7-triazacyclononane
• Authors of publication: Richard J. Parker; Leone Spiccia; Boujemaa Moubaraki; Keith S. Murray; David C. R. Hockless; A. David Rae; Anthony C. Willis
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 2489 - 2495
• a: 16.225 ± 0.003 Å
• b: 16.32 ± 0.002 Å
• c: 18.052 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4780 ± 1.3 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.096
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for all reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections: 1.415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.61
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No