Information card for entry 4315412

Structure parameters

• Formula: C240 H269 Cl13 Mn30 N82 O128
• Calculated formula: C240 H220 Cl13 Mn30 N82 O128
• Title of publication: The Highest-Nuclearity Manganese/Oximate Complex: An Unusual MnII/III15 Cluster with an S=6 Ground State
• Authors of publication: Dimitris I. Alexandropoulos; Constantina Papatriantafyllopoulou; Guillem Aromí; Olivier Roubeau; Simon J. Teat; Spyros P. Perlepes; George Christou; Theocharis C. Stamatatos
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 3962 - 3964
• a: 34.191 ± 0.004 Å
• b: 15.257 ± 0.002 Å
• c: 34.144 ± 0.004 Å
• α: 90°
• β: 106.328 ± 0.002°
• γ: 90°
• Cell volume: 17093 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1212
• Residual factor for significantly intense reflections: 0.0902
• Weighted residual factors for significantly intense reflections: 0.1866
• Weighted residual factors for all reflections included in the refinement: 0.1996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No