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Information card for entry 7034153
Preview
| Coordinates | 7034153.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H48 Mn4 N12 O12 |
|---|---|
| Calculated formula | C48 H48 Mn4 N12 O12 |
| SMILES | C1(c2[n]3[Mn]456(n7c(cc8C(N(C)C)=[O][Mn]9%10([OH][Mn]%11%12%13(n%14c(cc%15C(N(C)C)=[O][Mn]%16([OH]4)(n3c(c2)c2c(cccc2)O%16)([n]%14%15)[OH]%13)c2c(cccc2)O%11)[n]2c(C(N(C)C)=[O]%12)cc(c3c(cccc3)O%10)n92)([n]78)[OH]6)c2c(cccc2)O5)[O]=1)N(C)C |
| Title of publication | Solvent dependent reactivities of di-, tetra- and hexanuclear manganese complexes: syntheses, structures and magnetic properties. |
| Authors of publication | Yang, Hua; Cao, Fan; Li, Dacheng; Zeng, Suyuan; Song, You; Dou, Jianmin |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 14 |
| Pages of publication | 6620 - 6629 |
| a | 22.683 ± 0.002 Å |
| b | 22.683 ± 0.002 Å |
| c | 11.5196 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5927 ± 0.9 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a :2 |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.1603 |
| Residual factor for significantly intense reflections | 0.0647 |
| Weighted residual factors for significantly intense reflections | 0.1423 |
| Weighted residual factors for all reflections included in the refinement | 0.1582 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180047 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/41. |
7034153.cif |
| 135047 | 2015-04-06 | cif/ Updating files of 7034150, 7034151, 7034152, 7034153, 7034154 Original log message: Adding full bibliography for 7034150--7034154.cif. |
7034153.cif |
| 132343 | 2015-02-24 | cif/ Adding structures of 7034150, 7034151, 7034152, 7034153, 7034154 via cif-deposit CGI script. |
7034153.cif |
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