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Information card for entry 7017613
Preview
| Coordinates | 7017613.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C100 H222 Mo10 N8 O37 Ti2 |
|---|---|
| Calculated formula | C100 H216 Mo10 N8 O37 Ti2 |
| SMILES | [N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.N#CC.N#CC.O([Ti]1234[O]5678[Mo]9%10(=O)(O1)O[Mo]15(=O)(O2)O[Mo]26(=O)(O3)O[Mo]7(=O)(O4)(O9)O[Mo]8(=O)(O%10)(O1)O2)[Ti]1234[O]5678[Mo]9%10(=O)(O1)O[Mo]15(=O)(O2)O[Mo]26(=O)(O3)O[Mo]7(=O)(O4)(O9)O[Mo]8(=O)(O%10)(O1)O2.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC |
| Title of publication | Protonolysis of [((i)PrO)TiMo5O18]3-: access to a family of TiMo5 Lindqvist type polyoxometalates. |
| Authors of publication | Coyle, Laura; Middleton, Paul S.; Murphy, Christopher J.; Clegg, William; Harrington, Ross W.; Errington, R. John |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 3 |
| Pages of publication | 971 - 981 |
| a | 16.1864 ± 0.0017 Å |
| b | 16.1864 ± 0.0017 Å |
| c | 50.752 ± 0.007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 13297 ± 3 Å3 |
| Cell temperature | 160 ± 2 K |
| Ambient diffraction temperature | 160 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 92 |
| Hermann-Mauguin space group symbol | P 41 21 2 |
| Hall space group symbol | P 4abw 2nw |
| Residual factor for all reflections | 0.0484 |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for significantly intense reflections | 0.0874 |
| Weighted residual factors for all reflections included in the refinement | 0.0907 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.114 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179880 (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 7/01/76. |
7017613.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7017613.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7017613.cif |
| 33372 | 2012-02-12 | ../uploads/cif-deposit/cod/cif Adding structures of 7017609, 7017610, 7017611, 7017612, 7017613 via cif-deposit CGI script. |
7017613.cif |
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