Information card for entry 7014920

Structure parameters

• Formula: C92 H88 Mn6 N6 O22
• Calculated formula: C92 H88 Mn6 N6 O22
• SMILES: [O]12[Mn]34([N](O[Mn]562(Oc2c(cccc2)C(=[N]5[O]2[Mn]571([N](=C(c1c(cccc1)[O]5[Mn]158([N](=C(c9c(O5)cccc9)c5ccccc5)[O]7[Mn]572([O]1[Mn]1([N](O8)=C(c2c(O1)cccc2)c1ccccc1)([OH]CC)O[N]5=C(c1c(cccc1)[O]67)c1ccccc1)OC(=O)CC)[OH]CC)c1ccccc1)O4)OC(=O)CC)c1ccccc1)[OH]CC)=C(c1c(O3)cccc1)c1ccccc1)[OH]CC
• Title of publication: Hexametallic manganese clusters with bulky derivatised salicylaldoximes.
• Authors of publication: Kotzabasaki, Vasiliki; Inglis, Ross; Siczek, Milosz; Lis, Tadeusz; Brechin, Euan K.; Milios, Constantinos J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 8
• Pages of publication: 1693 - 1699
• a: 13.004 ± 0.005 Å
• b: 12.887 ± 0.005 Å
• c: 26.36 ± 0.009 Å
• α: 90°
• β: 101.58 ± 0.03°
• γ: 90°
• Cell volume: 4328 ± 3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• 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: 0.0948
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0508
• Weighted residual factors for all reflections included in the refinement: 0.0553
• Goodness-of-fit parameter for all reflections included in the refinement: 0.896
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No