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Information card for entry 7036594
Preview
Coordinates | 7036594.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C82 H150 Co2 Dy4 N0 O44 |
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Calculated formula | C82 H152 Co2 Dy4 O44 |
SMILES | C1(C(C)(C)C)=[O][Dy]23([OH2])(OC(C(C)(C)C)=[O][Dy]45678([OH]9[Co]%10%11%12%13[OH]%14[Co]%15%169([O]4c4c(cccc4[O]8C)C=[N]%16C[C@H]4[O]%15[Dy]89%15%14([O](C4)[Dy]4(OC(=[O]4)C(C)(C)C)([OH2])(OC(=O)C(C)(C)C)([O]=C(C(C)(C)C)O9)OC(C(C)(C)C)=[O]%15)([O]%11c4c(C=[N]%13C[C@H]([O]6%10)C[O]27)cccc4[O]8C)[O]=C(C(C)(C)C)O%12)OC(C(C)(C)C)=[O]5)O1)(OC(=[O]3)C(C)(C)C)OC(=O)C(C)(C)C.C(=O)(C(C)(C)C)O.O.O.O.C(=O)(C(C)(C)C)O.O.O.O |
Title of publication | Experimental and theoretical investigations of four 3d-4f butterfly single-molecule magnets. |
Authors of publication | Zou, Hua-Hong; Sheng, Liang-Bing; Liang, Fu-Pei; Chen, Zi-Lu; Zhang, Yi-Quan |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 42 |
Pages of publication | 18544 - 18552 |
a | 12.5549 ± 0.0017 Å |
b | 14.5434 ± 0.0009 Å |
c | 17.2581 ± 0.0012 Å |
α | 112.329 ± 0.006° |
β | 91.119 ± 0.008° |
γ | 107.56 ± 0.008° |
Cell volume | 2746.7 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0619 |
Residual factor for significantly intense reflections | 0.0479 |
Weighted residual factors for significantly intense reflections | 0.1235 |
Weighted residual factors for all reflections included in the refinement | 0.1386 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7036594.html
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