Information card for entry 7013777

Structure parameters

• Formula: C12 H25 Cl F3 Mn N4 O9 S
• Calculated formula: C12 H25 Cl F3 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: 10.169 ± 0.002 Å
• b: 12.744 ± 0.003 Å
• c: 16.181 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2097 ± 0.8 ų
• Cell temperature: 122 ± 1 K
• Ambient diffraction temperature: 122 ± 1 K
• Number of distinct elements: 8
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No