Information card for entry 7013776

Structure parameters

• Formula: C10 H26 Cl Mn N4 O9 S
• Calculated formula: C10 H26 Cl Mn N4 O9 S
• Title of publication: Rationalisation of weak ferromagnetism in manganese(III) chains: the relation between structure and ordering phenomena.
• Authors of publication: Mossin, Susanne; Weihe, Høgni; Sørensen, Henning Osholm; Lima, Nicola; Sessoli, Roberta
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 4
• Pages of publication: 632 - 639
• a: 10.887 ± 0.0009 Å
• b: 12.584 ± 0.002 Å
• c: 13.184 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1806.2 ± 0.4 ų
• Cell temperature: 122 ± 1 K
• Ambient diffraction temperature: 122 ± 1 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No