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Information card for entry 7113545
Preview
| Coordinates | 7113545.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H78 Cl2 Mn N6 O24 V6 |
|---|---|
| Calculated formula | C36 H68 Cl2 Mn N6 O24 V6 |
| Title of publication | A novel cationic heteropolyoxovanadium(IV) cluster functionalized with organic ligands: synthesis and characterization of the fully reduced species [MnIIVIV6O6{(OCH2CH2)2N(CH2CH2OH)}6]Cl2 |
| Authors of publication | Khan, M. Ishaque; Tabussum, Saadia; Doedens, Robert J. |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2003 |
| Journal issue | 4 |
| Pages of publication | 532 - 533 |
| a | 11.2208 ± 0.0005 Å |
| b | 21.5041 ± 0.0009 Å |
| c | 11.8126 ± 0.0005 Å |
| α | 90° |
| β | 111.268 ± 0.001° |
| γ | 90° |
| Cell volume | 2656.2 ± 0.2 Å3 |
| Cell temperature | 178 ± 2 K |
| Ambient diffraction temperature | 178 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0786 |
| Residual factor for significantly intense reflections | 0.0478 |
| Weighted residual factors for significantly intense reflections | 0.1086 |
| Weighted residual factors for all reflections included in the refinement | 0.1227 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7103979 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210532 (current) | 2018-09-07 | cif/7/ Updating bibliography in entries 7103979, 7113545. Marking entry 7113545 as a duplicate of entry 7103979. |
7113545.cif |
| 180249 | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/35. |
7113545.cif |
| 115123 | 2014-06-02 | cif/ Adding structures of 7113545 via cif-deposit CGI script. |
7113545.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.