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Information card for entry 7021875
Preview
| Coordinates | 7021875.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | [Chlorido-tris(miu~4~-oxido)-pentakis(miu~3~-oxido)-pentadecakis(miu~2~-hapto^1^:hapto^1^- 3,4,5-trimethoxybenzoato)-(miu~2~-hapto^1^:hapto^2^-trimethoxybenzoato)-tris(dimethyl- formamide/aquo)-undeca-iron(III)]diethyl ether-dimethylformamide-water solvate |
|---|---|
| Formula | C175.25 H220.85 Cl Fe11 N3.75 O97.05 |
| Calculated formula | C175.25 H212.25 Cl Fe11 N3.75 O97.05 |
| Title of publication | Hexanuclear and undecanuclear iron(iii) carboxylates as catalyst precursors for cyclohexane oxidation. |
| Authors of publication | Milunovic, Miljan N. M.; Martins, Luísa M D R S; Alegria, Elisabete C. B. A.; Pombeiro, Armando J. L.; Krachler, Regina; Trettenhahn, Günter; Turta, Constantin; Shova, Sergiu; Arion, Vladimir B. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 40 |
| Pages of publication | 14388 - 14401 |
| a | 19.4468 ± 0.0013 Å |
| b | 23.6865 ± 0.0016 Å |
| c | 25.9226 ± 0.0017 Å |
| α | 78.197 ± 0.004° |
| β | 87.186 ± 0.004° |
| γ | 71.921 ± 0.004° |
| Cell volume | 11109.8 ± 1.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1366 |
| Residual factor for significantly intense reflections | 0.0824 |
| Weighted residual factors for significantly intense reflections | 0.2336 |
| Weighted residual factors for all reflections included in the refinement | 0.272 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179923 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/18. |
7021875.cif |
| 88843 | 2013-10-09 | cif/ Adding structures of 7021875, 7021876 via cif-deposit CGI script. |
7021875.cif |
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