Information card for entry 4350256

Structure parameters

• Formula: C30 H52 B2 Mn N6 O8
• Calculated formula: C30 H52 B2 Mn N6 O8
• Title of publication: Novel biscapped and monocapped tris(dioxime) Mn(II) complexes: x-ray crystal structure of the first cationic tris(dioxime) Mn(II) complex [Mn(CDOH)3BPh]OH (CDOH2= 1,2-cyclohexanedione dioxime).
• Authors of publication: Hsieh, Wen-Yuan; Liu, Shuang
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 13
• Pages of publication: 5034 - 5043
• a: 17.8789 ± 0.0006 Å
• b: 10.3613 ± 0.0004 Å
• c: 20.9762 ± 0.0008 Å
• α: 90°
• β: 112.294 ± 0.0019°
• γ: 90°
• Cell volume: 3595.3 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.169
• Weighted residual factors for all reflections included in the refinement: 0.19
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MO-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No