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Information card for entry 4071675
Preview
| Coordinates | 4071675.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | MoC60Me5O2Br |
|---|---|
| Formula | C65 H15 Br Mo O2 |
| Calculated formula | C65 H15 Br Mo O2 |
| SMILES | [Mo]1234(Br)(=O)(=O)[c]56[c]71[c]12[c]23[c]45C3(c4c5C2(c2c8C1(c1c9C7(c7c%10C6(c6c3c3c4c4c%11c5c2c2c5c8c1c1c8c9c7c7c9c%10c6c6c3c3c4c4c%11c2c2c5c1c1c8c7c5c9c6c3c3c5c1c2c43)C)C)C)C)C |
| Title of publication | Group 6 Metal Complexes of the η5-Pentamethyl[60]fullerene |
| Authors of publication | Matsuo, Yutaka; Iwashita, Akihiko; Nakamura, Eiichi |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 18 |
| Pages of publication | 4611 |
| a | 37.595 ± 0.003 Å |
| b | 9.918 ± 0.0008 Å |
| c | 21.144 ± 0.0014 Å |
| α | 90° |
| β | 112.16 ± 0.005° |
| γ | 90° |
| Cell volume | 7301.6 ± 1 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0952 |
| Residual factor for significantly intense reflections | 0.0686 |
| Weighted residual factors for significantly intense reflections | 0.1841 |
| Weighted residual factors for all reflections included in the refinement | 0.2075 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178605 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/16. |
4071675.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4071675.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071675.cif |
| 43973 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071675 via cif-deposit CGI script. |
4071675.cif |
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