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Information card for entry 7029397
Preview
Coordinates | 7029397.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H251 Cu24 Dy6 N24 Na O151 |
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Calculated formula | C48 Cu24 Dy6 N12 Na O86 |
SMILES | C(C)C1=[O][Cu]23[NH2]C(C(=O)[O]2[Dy]2456([O]7[Cu]89[O]4[Cu]4%10[O]%11[Dy]%12%13%14%15([O]%16[Cu]%17%18[O]%19[Dy]%20%21%22%23([O]%17[Cu]%17%24[O]%25[Dy]%26%27%28([O]8[Cu]%11%16%25)([O]9[Cu]8([O]%24%26)[O]9[Cu]%117[O]2[Cu]2([O]7[Dy]%16%24%25%26([O]%29[Cu]%307[O]7[Dy]%31%329([O]%11%30)([O]9C(=O)C(C)[NH2][Cu]%119[O]%32[Cu]9([NH2]C(C(=O)[O]%319)C)[O]=C(O%11)C)([O]8[Cu]7([O]%20%17)[O]%22[Cu]%19%29[O]%16[Cu]([O]2%24)([O]%12%18)[O]%10%13)([OH2])[OH2])([O]2C(=O)C(C)[NH2][Cu]72OC(=[O][Cu]2([NH2]C(C(=O)[O]%252)C)[O]%267)C)([OH2])[OH2])[O]54)([O]2C(=O)C(C)[NH2][Cu]42OC(=[O][Cu]2([NH2]C(C(=O)[O]%272)C)[O]%284)C)([OH2])[OH2])([O]2C(=O)C([NH2][Cu]42[O]%23[Cu]2([NH2]C(C(=O)[O]%212)C)OC(=[O]4)CC)C)([OH2])[OH2])([O]2C(=O)C(C)[NH2][Cu]42[O]%15[Cu]2([NH2]C(C(=O)[O]%142)C)[O]=C(O4)C)([OH2])[OH2])([OH2])([O]3[Cu]2(O1)[NH2]C(C(=O)[O]62)C)[OH2])C.[Na+].O.O.O.O.O.O.O.O |
Title of publication | The multiple core-shell structure in Cu24Ln6 cluster with magnetocaloric effect and slow magnetization relaxation. |
Authors of publication | Xiong, Gang; Xu, Hang; Cui, Jian-Zhong; Wang, Qing-Lun; Zhao, Bin |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 15 |
Pages of publication | 5639 - 5642 |
a | 17.0964 ± 0.0007 Å |
b | 17.8161 ± 0.0007 Å |
c | 17.8597 ± 0.0007 Å |
α | 87.132 ± 0.003° |
β | 71.317 ± 0.004° |
γ | 64.3 ± 0.004° |
Cell volume | 4618.2 ± 0.4 Å3 |
Cell temperature | 125.2 ± 0.4 K |
Ambient diffraction temperature | 125.2 ± 0.4 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1013 |
Residual factor for significantly intense reflections | 0.0592 |
Weighted residual factors for significantly intense reflections | 0.1473 |
Weighted residual factors for all reflections included in the refinement | 0.1622 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.896 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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