Information card for entry 4331043

Structure parameters

• Chemical name: [K(18-crown-6)][Mn(2,2'-bipy)(mes)2]*0.67py*0.67tol
• Formula: C48 H62.67 K Mn N2.67 O6
• Calculated formula: C48 H62.6667 K Mn N2.66667 O6
• 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: 13.306 ± 0.0001 Å
• b: 24.1421 ± 0.0002 Å
• c: 43.8747 ± 0.0004 Å
• α: 90°
• β: 94.833 ± 0.001°
• γ: 90°
• Cell volume: 14044 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No