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Information card for entry 7108699
Preview
Coordinates | 7108699.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C96 H170 Eu12 Mo4 N6 O82 |
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Calculated formula | C96 H112 Eu12 Mo4 N6 O76 |
SMILES | [Eu]1234567[N]8=Cc9c(cccc9)[O]1[Eu]19%10%11%12%13[N](=Cc%14c(cccc%14)O1)CC1C[OH][Eu]%14%15%16%17%18%19([O]91)[O]1[Eu]9%20%21%22%23%24([O]%14[Mo]%14([O]%25[Eu]%26%27%28%29%30%31%32[O]%33[Eu]%34%35%36%37%25([O]%25[Eu]%38%39([N](=Cc%40c(cccc%40)O%38)CC%25C[OH]%34)([O]%25[Eu]%34%38%40%41([N](=Cc%42c%25cccc%42)CC%25C[OH][Eu]%42%43%44([N](=Cc%45c(cccc%45)[O]%42[Eu]%42%45%46%47%48([N](=Cc%49c(cccc%49)O%42)CC%42C[OH][Eu]%49%50%51([O]%45%42)([O]([Eu]%42%45([O]%14%49)([OH]%11%15)([O]%18C(=[O]%17)C)([O]=C(C)[O]%12%19)([O]%13C(=[O]%42)C)[O]=C(C)[O]%50%45)[Mo](O5)([O]%44%46)=O)([OH]%26%47)([O]=C(C)[O]%31%51)[O]%48C(C)=[O]%32)[O]%27C(C)[OH]%28)CC(C[OH]4)[O]3%43)([O]%38%25)(O[Mo]%33([O]%39%40)=O)[OH]7%41)([O]2C(C8)C[OH]%34)O[Mo]1([O]6%10)=O)([OH]9%35)([O]%37C(C)[OH]%21)[O]%22C(C)=[O]%23)([O]%30C(=[O]%29)C)[O]=C(C)[O]%20%36)=O)[O]=C(C)[O]%16%24.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.CO.O.O |
Title of publication | Molybdate templated assembly of Ln12Mo4-type clusters (Ln = Sm, Eu, Gd) containing a truncated tetrahedron core |
Authors of publication | Yong Zheng; Qian-Chong Zhang; La-Sheng Long; Rong-Bin Huang; Achim Muller; Jurgen Schnack; Lan-Sun Zheng; Zhiping Zheng |
Journal of publication | Chem.Commun. |
Year of publication | 2013 |
Journal volume | 49 |
Pages of publication | 36 |
a | 22.5903 ± 0.0002 Å |
b | 27.7436 ± 0.0003 Å |
c | 28.6154 ± 0.0004 Å |
α | 90° |
β | 122.041 ± 0.001° |
γ | 90° |
Cell volume | 15202.4 ± 0.3 Å3 |
Cell temperature | 133 ± 2 K |
Ambient diffraction temperature | 133 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0567 |
Residual factor for significantly intense reflections | 0.0438 |
Weighted residual factors for significantly intense reflections | 0.0968 |
Weighted residual factors for all reflections included in the refinement | 0.1009 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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