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Information card for entry 7017195
Preview
| Coordinates | 7017195.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H111 Mn8 N12 Na2 O35 |
|---|---|
| Calculated formula | C66 H100 Mn8 N12 Na2 O32 |
| SMILES | [Mn]1234(Oc5ccccc5C(=O)O1)[N]1(CC[O]2[Mn]25678[N]9([Mn]%10%11%12([N]%13([Mn]%14%15%16%17%18[N](CC[O]%10%14[Mn]%10%14%19([N](CC[O]%11%10)(CC[O]%17%14)CCO)OC(=O)c%10c(O%19)cccc%10)(CC[O]%10%15[Mn]%11%14%15(Oc%17ccccc%17C(=O)O%11)[N](CC[O]%18%14)(CC[O]%15[Mn]%119%13%10[O]5([Mn]59%10([N](CC[O]%115)(CC[O]89)CCO)OC(=O)c5c(O%10)cccc5)CC[N]2(CC[O]46%12)CC[OH]7)CCO)CC[OH]%16)=N#N)[O]3CC1)=N#N)CCO.[Na+].OC.[Na+].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 | 25.8728 ± 0.0006 Å |
| b | 24.3303 ± 0.0005 Å |
| c | 16.0384 ± 0.0004 Å |
| α | 90° |
| β | 100.286 ± 0.001° |
| γ | 90° |
| Cell volume | 9933.8 ± 0.4 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 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 | 0.0822 |
| Residual factor for significantly intense reflections | 0.0658 |
| Weighted residual factors for significantly intense reflections | 0.1549 |
| Weighted residual factors for all reflections included in the refinement | 0.1647 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179875 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/71. |
7017195.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7017195.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7017195.cif |
| 31269 | 2011-12-13 | ../uploads/cif-deposit/cod/cif Adding structures of 7017192, 7017193, 7017194, 7017195, 7017196, 7017197, 7017198, 7017199 via cif-deposit CGI script. |
7017195.cif |
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