Information card for entry 7026030

Structure parameters

• Formula: C33 H40 Cl2 Mn3 N6 O11
• Calculated formula: C33 H40 Cl2 Mn3 N6 O11
• Title of publication: Synthesis, characterisation and computational studies on a novel one-dimensional arrangement of Schiff-base Mn3 single-molecule magnet.
• Authors of publication: Lin, Po-Heng; Gorelsky, Serge; Savard, Didier; Burchell, Tara J.; Wernsdorfer, Wolfgang; Clérac, Rodolphe; Murugesu, Muralee
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 33
• Pages of publication: 7650 - 7658
• a: 10.0173 ± 0.0018 Å
• b: 10.2552 ± 0.0018 Å
• c: 11.2365 ± 0.0013 Å
• α: 114.964 ± 0.011°
• β: 108.935 ± 0.011°
• γ: 98.289 ± 0.002°
• Cell volume: 935.1 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1097
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1383
• Weighted residual factors for all reflections included in the refinement: 0.1584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No