Information card for entry 2015546

Structure parameters

• Chemical name: {2,5-Bis[3-(tert-butylaminoxyl)phenyl]-1,1-dimethyl-3,4- diphenylsilole-\κO}bis(1,1,1,5,5,5-hexafluoropentane-2,4- dionato)manganese(II)
• Formula: C86 H86 F12 Mn N4 O8 Si2
• Calculated formula: C86 H86 F12 Mn N4 O8 Si2
• SMILES: CC(C)(C)[N](c1cc(ccc1)C1=C(c2ccccc2)C(=C(c2cccc(N(O[Mn]34(OC(=CC(=[O]3)C(F)(F)F)C(F)(F)F)(OC(=CC(=[O]4)C(F)(F)F)C(F)(F)F)ON(c3cccc(C4=C(C(=C(c5cc([N](C(C)(C)C)=O)ccc5)[Si]4(C)C)c4ccccc4)c4ccccc4)c3)C(C)(C)C)C(C)(C)C)c2)[Si]1(C)C)c1ccccc1)=O
• Title of publication: {2,5-Bis[3-(<i>tert</i>-butylaminoxyl)phenyl]-1,1-dimethyl-3,4-diphenylsilole-κ<i>O</i>}bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)manganese(II)
• Authors of publication: Roques, Nans; Gerbier, Philippe; Imaz, Inhar; Guionneau, Philippe; Sutter, Jean-Pascal
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: m386 - m388
• a: 14.784 ± 0.002 Å
• b: 13.402 ± 0.003 Å
• c: 21.084 ± 0.004 Å
• α: 90°
• β: 104.88 ± 0.01°
• γ: 90°
• Cell volume: 4037.4 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.1167
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No