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Information card for entry 4071673
Preview
| Coordinates | 4071673.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C68 H15 Mo N O3 S2 |
|---|---|
| Calculated formula | C68 H15 Mo N O3 S2 |
| SMILES | [Mo]1234(N=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)(C#[O])C#[O].C(=S)=S |
| 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 | 27.28 ± 0.004 Å |
| b | 14.993 ± 0.001 Å |
| c | 19.193 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7850.1 ± 1.8 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 56 |
| Hermann-Mauguin space group symbol | P c c n |
| Hall space group symbol | -P 2ab 2ac |
| Residual factor for all reflections | 0.1773 |
| Residual factor for significantly intense reflections | 0.1567 |
| Weighted residual factors for significantly intense reflections | 0.4176 |
| Weighted residual factors for all reflections included in the refinement | 0.4396 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.769 |
| 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. |
4071673.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4071673.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071673.cif |
| 43971 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071673 via cif-deposit CGI script. |
4071673.cif |
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Users of the data should acknowledge the original authors of the
structural data.