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Information card for entry 7025448
Preview
Coordinates | 7025448.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C68 H140 Dy4 Mn4 N4 O40 |
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Calculated formula | C68 H140 Dy4 Mn4 N4 O40 |
SMILES | C1C[O]2[Mn]3456[N]1(CC[O]3[Dy]137([O]8[Mn]9%10%11([N](CCCC)(CC8)CC[O]9[Dy]89([O]=C[O]3%10)([O]%11C)(OC(=O)CC)([OH]C)[O]3CC[N]%10(CC[O]%11[Dy]%12%13%14([O]%15CC[N]%16(CC[O]%17[Dy]%182([O]4C=[O]1)([O]=C[O]%12[Mn]%15%16%17([O]%18C)[O]=C(CC)O%14)(OC(CC)=[O]6)(OC(=O)CC)[OH]C)CCCC)([O]=C[O]8[Mn]3%10%11([O]%13C)[O]=C(CC)O9)(OC(=O)CC)[OH]C)CCCC)[O]=C(CC)O7)([O]5C)(OC(=O)CC)[OH]C)CCCC |
Title of publication | New heterometallic [Mn(III)(4)Ln(III)(4)] wheels incorporating formate ligands. |
Authors of publication | Li, Mengyuan; Ako, Ayuk M.; Lan, Yanhua; Wernsdorfer, Wolfgang; Buth, Gernot; Anson, Christopher E.; Powell, Annie K.; Wang, Zheming; Gao, Song |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2010 |
Journal volume | 39 |
Journal issue | 14 |
Pages of publication | 3375 - 3377 |
a | 39.9152 ± 0.0013 Å |
b | 8.6807 ± 0.0003 Å |
c | 33.5005 ± 0.0011 Å |
α | 90° |
β | 126.373 ± 0.001° |
γ | 90° |
Cell volume | 9346.2 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0386 |
Residual factor for significantly intense reflections | 0.0272 |
Weighted residual factors for significantly intense reflections | 0.0589 |
Weighted residual factors for all reflections included in the refinement | 0.0624 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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