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Information card for entry 7017197
Preview
Coordinates | 7017197.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C74 H134 Mn8 N12 Na2 O40 |
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Calculated formula | C70 H118 Mn8 N12 Na2 O36 |
SMILES | c12ccccc1C(=O)[O]1[Mn]345([N]6(CC[O]3[Mn]3[O]7[Mn]89%10(Oc%11ccccc%11C(=O)[O]8[Na]8%11%12([OH]C)[OH]C)[N](CC[O]8%10[Mn]8%10%13%14[N](=N#N)[Mn]%15%16([O]4(CC6)[Na]41([O]1%15CC[N]6([Mn]%15%171(Oc1ccccc1C(=O)[O]4%15)[O]([Mn]1[O]4[Mn]%15%18([N](CC4)(CC[O]%10%18%11)CCO)(Oc4ccccc4C(=O)[O]%15%12)[O]%13CCN(CCO)CC[O]%16%171)CC6)CCO)([OH]C)[OH]C)([N]8=N#N)[O]5CCN(CCO)CC[O]39%14)(CC7)CCO)CCO)O2.OC.OC |
Title of publication | Self-assembled decanuclear Na(I)(2)Mn(II)(4)Mn(III)(4) complexes: from discrete clusters to 1-D and 2-D structures, with the Mn(II)(4)Mn(III)(4) unit displaying a large spin ground state and probable SMM behaviour. |
Authors of publication | Langley, Stuart K.; Chilton, Nicholas F.; Moubaraki, Boujemaa; Murray, Keith S. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 45 |
Pages of publication | 12201 - 12209 |
a | 17.813 ± 0.004 Å |
b | 12.949 ± 0.003 Å |
c | 23.397 ± 0.005 Å |
α | 90° |
β | 100.75 ± 0.03° |
γ | 90° |
Cell volume | 5302 ± 2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0678 |
Residual factor for significantly intense reflections | 0.0603 |
Weighted residual factors for significantly intense reflections | 0.1535 |
Weighted residual factors for all reflections included in the refinement | 0.1576 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
Diffraction radiation wavelength | 0.71123 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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