Information card for entry 4335670

Structure parameters

• Formula: C33 H55 Co Mn N11 O10
• Calculated formula: C33 H39 Co Mn N11 O10
• SMILES: [Co](C#[N][Mn]123(Oc4ccc(C[N+](C)(C)C)cc4C=[N]3[C@H](C)C[N]2=Cc2c(O1)ccc(C[N+](C)(C)C)c2)[OH2])(C#N)(C#N)(C#N)(C#N)C#N.O.O.O.O.O.O.O.N#CC
• Title of publication: Slow Relaxation of the Magnetization of an MnIII Single Ion
• Authors of publication: Ryuta Ishikawa; Ryo Miyamoto; Hiroyuki Nojiri; Brian K. Breedlove; Masahiro Yamashita
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 8300 - 8302
• a: 10.42 ± 0.1 Å
• b: 12.7 ± 0.14 Å
• c: 16.65 ± 0.19 Å
• α: 90°
• β: 104.19 ± 0.16°
• γ: 90°
• Cell volume: 2136 ± 4 ų
• Cell temperature: 93 ± 1 K
• Ambient diffraction temperature: 93 ± 1 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.12
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.1524
• Weighted residual factors for all reflections included in the refinement: 0.183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No