Information card for entry 4331042

Structure parameters

• Chemical name: [K(18-crown-6)(THF)2][Mn(2,2'bipy)(C9H11)2]
• Formula: C48 H70 K Mn N2 O8
• Calculated formula: C48 H70 K Mn N2 O8
• Title of publication: A Homologous Series of First-Row Transition-Metal Complexes of 2,2'-Bipyridine and their Ligand Radical Derivatives: Trends in Structure, Magnetism, and Bonding
• Authors of publication: Mark Irwin; Laurence R. Doyle; Tobias Krämer; Radovan Herchel; John E. McGrady; Jose M. Goicoechea
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 12301 - 12312
• a: 13.084 ± 0.0002 Å
• b: 32.191 ± 0.0004 Å
• c: 23.151 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9750.9 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No