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Information card for entry 7017388
Preview
| Coordinates | 7017388.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C38 H32 Cl2 Mn2 N8 O12 |
|---|---|
| Calculated formula | C38 H32 Cl2 Mn2 N8 O12 |
| SMILES | [Mn]123(O[Mn]4([n]5ccccc5c5cccc[n]45)([O]=C(O2)c2ccccc2Cl)([O]=C(O3)c2ccccc2Cl)[OH2])([n]2ccccc2c2cccc[n]12)ON(=O)=O.N#CC.N#CC.O=N(=O)[O-] |
| Title of publication | Magneto-structural correlations in dinuclear Mn(iii) compounds with formula [{Mn(L)(NN)}(μ-O)(μ-2-RC(6)H(4)COO)(2){Mn(L')(NN)}](n+). |
| Authors of publication | Gómez, Verónica; Corbella, Montserrat; Roubeau, Olivier; Teat, Simon J. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 44 |
| Pages of publication | 11968 - 11975 |
| a | 17.678 ± 0.0015 Å |
| b | 24.196 ± 0.002 Å |
| c | 10.226 ± 0.0009 Å |
| α | 90° |
| β | 104.927 ± 0.003° |
| γ | 90° |
| Cell volume | 4226.4 ± 0.6 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.12 |
| Residual factor for significantly intense reflections | 0.054 |
| Weighted residual factors for significantly intense reflections | 0.0985 |
| Weighted residual factors for all reflections included in the refinement | 0.1213 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301847 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/01/ Each referenced PubChem compound corresponds to the full crystal structure. |
7017388.cif |
| 179877 | 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 7/01/73. |
7017388.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7017388.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7017388.cif |
| 31327 | 2011-12-13 | ../uploads/cif-deposit/cod/cif Adding structures of 7017388, 7017389, 7017390 via cif-deposit CGI script. |
7017388.cif |
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