Information card for entry 7001001

Structure parameters

• Formula: C190 H190 Mn12 N12 O49
• Calculated formula: C190 H189 Mn12 N12 O49
• Title of publication: Constructing clusters with enhanced magnetic properties by assembling and distorting Mn3 building blocks
• Authors of publication: Milios, Constantinos J.; Inglis, Ross; Jones, Leigh F.; Prescimone, Alessandro; Parsons, Simon; Wernsdorfer, Wolfgang; Brechin, Euan K.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 15
• Pages of publication: 2812 - 2822
• a: 12.513 ± 0.0008 Å
• b: 18.1535 ± 0.0011 Å
• c: 23.1916 ± 0.0014 Å
• α: 90.107 ± 0.004°
• β: 103.985 ± 0.004°
• γ: 107.618 ± 0.004°
• Cell volume: 4856.1 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1324
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1908
• Weighted residual factors for all reflections included in the refinement: 0.2336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No