Information card for entry 4326008

Structure parameters

• Formula: C56.5 H118 K3 Mn N8.5 O18 Pb12
• Calculated formula: C56.5 H118 K3 Mn N8.5 O18 Pb12.0001
• Title of publication: A Highly Distorted Open-Shell Endohedral Zintl Cluster: [Mn@Pb12]3-
• Authors of publication: Binbin Zhou; Tobias Krämer; Amber L. Thompson; John E. McGrady; José M. Goicoechea
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 8028 - 8037
• a: 17.442 ± 0.0001 Å
• b: 23.297 ± 0.0002 Å
• c: 50.412 ± 0.0004 Å
• α: 90°
• β: 110.23 ± 0.001°
• γ: 90°
• Cell volume: 19221.1 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• 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: 0.1709
• Residual factor for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections: 0.1288
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1385
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No