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Information card for entry 7016558
Preview
| Coordinates | 7016558.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H24 F10 Mn2 N4 O4 |
|---|---|
| Calculated formula | C54 H24 F10 Mn2 N4 O4 |
| SMILES | c12ccccc2[O]2[Mn]34(n5c(=C(c6ccc(c7c(O4)cccc7)[n]36)c3c(F)c(F)c(F)c(F)c3F)ccc15)[O]1c3c(c4n5c(=C(c6ccc7c8c(cccc8)O[Mn]215[n]67)c1c(F)c(F)c(F)c(F)c1F)cc4)cccc3 |
| Title of publication | Dipyrrinphenol-Mn(iii) complex: synthesis, electrochemistry, spectroscopic characterisation and reactivity. |
| Authors of publication | El Ghachtouli, Sanae; Wójcik, Karolina; Copey, Laurent; Szydlo, Florence; Framery, Eric; Goux-Henry, Catherine; Billon, Laurianne; Charlot, Marie-France; Guillot, Régis; Andrioletti, Bruno; Aukauloo, Ally |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 36 |
| Pages of publication | 9090 - 9093 |
| a | 11.7563 ± 0.0016 Å |
| b | 11.2145 ± 0.0013 Å |
| c | 15.6509 ± 0.0018 Å |
| α | 90° |
| β | 100.273 ± 0.004° |
| γ | 90° |
| Cell volume | 2030.4 ± 0.4 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 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 | 0.1189 |
| Residual factor for significantly intense reflections | 0.0559 |
| Weighted residual factors for significantly intense reflections | 0.1013 |
| Weighted residual factors for all reflections included in the refinement | 0.1217 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179869 (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 7/01/65. |
7016558.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7016558.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7016558.cif |
| 27457 | 2011-10-03 | ../uploads/cif-deposit/cod/cif Adding structures of 7016558 via cif-deposit CGI script. |
7016558.cif |
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