Information card for entry 7203326

Structure parameters

• Formula: C48 H44 Mn4 N32 O6
• Calculated formula: C48 H44 Mn4 N32 O6
• SMILES: [Mn]123([O]4[Mn]56([O]7[Mn]89%10([O]%11[Mn]%12%13([O]1C(=N[N]%13=C(N)c1[n]%12cccc1)c1[n]3cccc1)([n]1c(C%11=N[N]%10=C(N)c3[n]9cccc3)cccc1)N=N#N)[N](N=C7c1[n]6cccc1)=C(N)c1[n]8cccc1)([N](N=C4c1[n]2cccc1)=C(N)c1[n]5cccc1)N=N#N)(N=N#N)N=N#N.O.O
• Title of publication: Self-assembled polymetallic square grids ([2 ? 2] M4, [3 ? 3] M9) and trigonal bipyramidal clusters (M5)?structural and magnetic properties
• Authors of publication: Dawe, Louise N.; Abedin, Tareque S. M.; Kelly, Timothy L.; Thompson, Laurence K.; Miller, David O.; Zhao, Liang; Wilson, Claire; Leech, Michael A.; Howard, Judith A. K.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2006
• Journal volume: 16
• Journal issue: 26
• Pages of publication: 2645
• a: 13.02 ± 0.0009 Å
• b: 14.0538 ± 0.001 Å
• c: 16.5587 ± 0.0012 Å
• α: 90°
• β: 100.253 ± 0.001°
• γ: 90°
• Cell volume: 2981.5 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0948
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.179
• Weighted residual factors for all reflections included in the refinement: 0.1962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No