Information card for entry 4304681

Structure parameters

• Formula: C52 H63 Cl2 Mn3 N12 Ni O10
• Calculated formula: C52 H63 Cl2.01 Mn3 N12 Ni O10
• Title of publication: Heterometallic Integer-Spin Analogues of S=9/2 Mn4 Cubane Single-Molecule Magnets
• Authors of publication: Patrick L. Feng; Christopher C. Beedle; Changhyun Koo; Wolfgang Wernsdorfer; Motohiro Nakano; Stephen Hill; David N. Hendrickson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 3188 - 3204
• a: 16.264 ± 0.005 Å
• b: 16.264 ± 0.005 Å
• c: 24.634 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 120 ± 0.005°
• Cell volume: 5643 ± 3 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No