Information card for entry 7104545

Structure parameters

• Common name: Mn5Gd6
• Formula: C49 H74 Gd6 Mn5 N8 O49
• Calculated formula: C49 H70 Gd6 Mn5 N8 O49
• SMILES: [Mn]12345[O]67[Mn]89%10%11[N]%12=Cc%13c%14[O]9[Gd]9%15%16%17%187([N](=Cc%14cc(c%13)C)CC[O]79[Mn]9%136([O]6[Mn]%14%19%20%21[N](=Cc%22c%23[O]%14[Gd]%14%24%25%26%27%28([N](=Cc%23cc(c%22)C)CC[O]%22%14[Mn]%14([O]8CC%12)([O]1%19%24)([O]3[Gd]138%12%22([O]5%25[Gd]5%19%22%23([O]%24[Gd]%25%297([O]29)([O]4%15[Gd]24%24([O]15)([O]%17C(=[O]%16)C)([O]%25C(=[O]%18)C)([O]8C(=[O]2)C)[O]=N(=O)O4)([O]=C(O%13)C)([O]%19C(=[O]%22)C)[O]=N(=O)O%29)([O]%27C(=[O]%26)C)([O]3C(=[O]%28)C)ON(=[O]%23)=O)([O]=C(O%14)C)[O]=N(O%12)=O)[O]=C(O%20)C)[O]%21C)CC6)OC(=[O]%10)C)[O]%11C.CO
• Title of publication: Undecanuclear mixed-valence 3d-4f bimetallic clusters.
• Authors of publication: Shiga, Takuya; Onuki, Tatsuya; Matsumoto, Takuto; Nojiri, Hiroyuki; Newton, Graham N; Hoshino, Norihisa; Oshio, Hiroki
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 24
• Pages of publication: 3568 - 3570
• a: 19.895 ± 0.004 Å
• b: 19.895 ± 0.004 Å
• c: 52.6 ± 0.014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 20819 ± 8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No