Information card for entry 4300792

Structure parameters

• Formula: C38 H40 B9 Cl4 Mn O3 P2 Pd
• Calculated formula: C38 H40 B9 Cl4 Mn O3 P2 Pd
• Title of publication: Reactions of the Dianion [1,1,1-(CO)3-2-Ph-closo-1,2-MnCB9H9]2- with Transition-Metal Cations: Facile Insertion and Then Extrusion of Cluster Vertexes
• Authors of publication: Du, Shaowu; Jeffery, John C.; Kautz, Jason A.; Lu, Xiu Lian; McGrath, Thomas D.; Miller, Thomas A.; Riis-Johannessen, T.; Stone, F. Gordon A.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Journal issue: 8
• Pages of publication: 2815 - 2825
• a: 10.9749 ± 0.0003 Å
• b: 11.5671 ± 0.0003 Å
• c: 20.1699 ± 0.0005 Å
• α: 92.365 ± 0.002°
• β: 95.3 ± 0.002°
• γ: 114.092 ± 0.002°
• Cell volume: 2318.69 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.056
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1304
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No