Information card for entry 1504398

Structure parameters

• Formula: C32 H27 Cl3 Mn3 N3 O12 S
• Calculated formula: C32 H27 Cl3 Mn3 N3 O12 S
• Title of publication: Grafting derivatives of Mn6 single-molecule magnets with high anisotropy energy barrier on Au111 surface.
• Authors of publication: Moro, F.; Corradini, V.; Evangelisti, M.; De Renzi, V.; Biagi, R.; del Pennino, U.; Milios, C. J.; Jones, L. F.; Brechin, E. K.
• Journal of publication: The journal of physical chemistry. B
• Year of publication: 2008
• Journal volume: 112
• Journal issue: 32
• Pages of publication: 9729 - 9735
• a: 11.5076 ± 0.0008 Å
• b: 13.8717 ± 0.0009 Å
• c: 14.1965 ± 0.0009 Å
• α: 117.336 ± 0.003°
• β: 90.196 ± 0.003°
• γ: 109.517 ± 0.003°
• Cell volume: 1863.9 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for all reflections: 0.0922
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 0.4354
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No