Information card for entry 1514615

Structure parameters

• Formula: C182 H353 Fe10 N51 O90 Yb10
• Calculated formula: C140 H286 Fe10 N30 O90 Yb10
• SMILES: [Yb]123456([O]7[Fe]89%10%11[O]%12[Yb]%13%14%15%16([O]%17[Fe]%18%19%20([O]%21[Yb]%22%23%24%25([O]%26[Fe]%27%28%29([O]%30[Yb]%31%32%33%34([O]%35[Fe]%36%37%38([O]%39[Yb]%40%41%42%43([O]%44[Fe]%45%46%47([O]%48[Yb]%49%50%51%52([O]%53[Fe]%54%55%56([O]%57[Yb]%58%59%60%61([O]%62[Fe]%63%64%65([O]%66[Yb]%67%68%69%70([O]%71[Fe]%72%73%74([O]%75[Yb]%76%77%78%79([O]%80[Fe]%81%82%83([O]%84[Yb]%85%86%87%88([O]%89[Fe]%90%91([O]1CC[N]6(C[C@H]([OH]2)C)CC7)([O]3CC[N]%91(CC%89)C[C@H](O%90)C)[O]%85CC[N]%88(CC%84)C[C@@H]([OH]%86)C)([O]%81CC[N]%83(CC%80)C[C@@H](O%82)C)[O]=N(=O)O%87)[O]%76CC[N]%79(CC%75)C[C@H]([OH]%77)C)([O]%72CC[N]%74(CC%71)C[C@H](O%73)C)[O]=N(=O)O%78)[O]%67CC[N]%70(CC%66)C[C@@H]([OH]%69)C)([O]%63CC[N]%65(CC%62)C[C@@H](O%64)C)[O]=N(=O)O%68)[O]%58CC[N]%61(CC%57)C[C@H]([OH]%59)C)([O]%54CC[N]%56(CC%53)C[C@H](O%55)C)ON(=[O]%60)=O)[O]%49CC[N]%52(CC%48)C[C@@H]([OH]%50)C)([O]%45CC[N]%47(CC%44)C[C@@H](O%46)C)[O]=N(=O)O%51)[O]%40CC[N]%43(CC%39)C[C@H]([OH]%41)C)([O]%36CC[N]%38(CC%35)C[C@H](O%37)C)[O]=N(=O)O%42)[O]%31CC[N]%34(CC%30)C[C@@H]([OH]%32)C)([O]%27CC[N]%29(CC%26)C[C@@H](O%28)C)[O]=N(=O)O%33)[O]%22CC[N]%25(CC%21)C[C@H]([OH]%23)C)([O]%18CC[N]%20(CC%17)C[C@H](O%19)C)[O]=N(=O)O%24)[O]%13CC[N]%16(CC%12)C[C@@H]([OH]%14)C)([O]8CC[N]%11(CC[O]59)C[C@@H](O%10)C)ON(=[O]%15)=O)[O]=N(=O)O4
• Title of publication: Ringing the changes in Feiii/Ybiii cyclic coordination clusters
• Authors of publication: Baniodeh, Amer; Anson, Christopher E.; Powell, Annie K.
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 12
• Pages of publication: 4354
• a: 16.553 ± 0.0012 Å
• b: 20.5964 ± 0.0013 Å
• c: 21.1312 ± 0.0016 Å
• α: 108.791 ± 0.005°
• β: 101.118 ± 0.006°
• γ: 95.993 ± 0.005°
• Cell volume: 6583.9 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0785
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No