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Information card for entry 8102018
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| Coordinates | 8102018.cif |
|---|
| Chemical name | aquachloro[N,N'-bis(3-ethoxysalicylidene)propylenediiminato]manganese(III) dihydrate |
|---|---|
| Formula | C21 H30 Cl Mn N2 O7 |
| Calculated formula | C21 H26 Cl Mn N2 O7 |
| SMILES | [Mn]123(Cl)(Oc4c(OCC)cccc4C=[N]2CC([N]3=Cc2cccc(OCC)c2O1)C)[OH2].O.O |
| Title of publication | Crystal structure of aquachloro[N,N'-bis(3-ethoxy-salicylidene)propylenediiminato] manganese(III) dihydrate, [Mn(C~21~H~24~N~2~O~4~)Cl(H~2~O)] · 2H~2~O |
| Authors of publication | Hwang, I.-C.; Ha, K. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2006 |
| Journal volume | 221 |
| Journal issue | 3 |
| Pages of publication | 365 - 366 |
| a | 10.029 ± 0.002 Å |
| b | 11.561 ± 0.002 Å |
| c | 11.689 ± 0.002 Å |
| α | 106.331 ± 0.003° |
| β | 107.874 ± 0.003° |
| γ | 99.092 ± 0.003° |
| Cell volume | 1192.7 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0954 |
| Residual factor for significantly intense reflections | 0.071 |
| Weighted residual factors for significantly intense reflections | 0.222 |
| Weighted residual factors for all reflections included in the refinement | 0.2375 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176728 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102018.cif |
| 107950 | 2014-03-25 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8102018.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102018.cif |
| 12757 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 8102018 via cif-deposit CGI script. |
8102018.cif |
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Users of the data should acknowledge the original authors of the
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