Information card for entry 4302258

Structure parameters

• Formula: C72 H112 Mn17 N23 O38
• Calculated formula: C72 H108 Mn17 N23 O38
• Title of publication: A Mn17 Octahedron with a Giant Ground-State Spin: Occurrence in Discrete Form and as Multidimensional Coordination Polymers
• Authors of publication: Moushi, Eleni E.; Stamatatos, Theocharis C.; Wernsdorfer, Wolfgang; Nastopoulos, Vassilios; Christou, George; Tasiopoulos, Anastasios J.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Journal issue: 12
• Pages of publication: 5049 - 5051
• a: 14.0508 ± 0.0017 Å
• b: 14.6997 ± 0.0016 Å
• c: 15.2 ± 0.002 Å
• α: 81.603 ± 0.01°
• β: 66.662 ± 0.012°
• γ: 78.311 ± 0.01°
• Cell volume: 2815.2 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0816
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4338646
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No