Information card for entry 7104546

Structure parameters

• Common name: Mn5Tb6
• Formula: C49 H74 Mn5 N8 O49 Tb6
• Calculated formula: C49 H70 Mn5 N8 O49 Tb6
• SMILES: [Mn]12345[O]67[Mn]89%10%11[N]%12=Cc%13c%14[O]9[Tb]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[Tb]%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[Tb]138%12%22([O]5%25[Tb]5%19%22%23([O]%24[Tb]%25%297([O]29)([O]4%15[Tb]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)O%12)[O]=C(O%20)C)[O]%21C)CC6)[O]=C(O%10)C)[O]%11C.OC
• 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: 19.904 ± 0.003 Å
• b: 19.904 ± 0.003 Å
• c: 52.596 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 20838 ± 6 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: 0.0642
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections included in the refinement: 0.862
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No