Information card for entry 4304472

Structure parameters

• Formula: C82 H182 Cl2 Mn20 N12 O66
• Calculated formula: C72 H138 Cl2 Mn20 N12 O56
• Title of publication: Unusual Structural Types in Manganese Cluster Chemistry from the Use of N,N,N',N'-Tetrakis(2-hydroxyethyl)ethylenediamine: Mn8, Mn12, and Mn20 Clusters
• Authors of publication: Rashmi Bagai; Khalil A. Abboud; George Christou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 621 - 631
• a: 17.057 ± 0.0016 Å
• b: 25.409 ± 0.002 Å
• c: 15.9322 ± 0.0015 Å
• α: 90°
• β: 100.463 ± 0.002°
• γ: 90°
• Cell volume: 6790.2 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1244
• Residual factor for significantly intense reflections: 0.0812
• Weighted residual factors for significantly intense reflections: 0.2174
• Weighted residual factors for all reflections included in the refinement: 0.2282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.212
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No