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Information card for entry 4071415
Preview
| Coordinates | 4071415.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Compound 5B |
|---|---|
| Formula | C23 H39 Mo N O |
| Calculated formula | C23 H39 Mo N O |
| SMILES | [Mo]12345([c]6([c]2([c]1([c]3([c]46C)C)C)C)C)(N=O)[C@H]1CCCCCC[C@@H]1[C@H]5C(C)(C)C.[Mo]12345([c]6([c]2([c]1([c]3([c]46C)C)C)C)C)(N=O)[C@@H]1CCCCCC[C@H]1[C@@H]5C(C)(C)C |
| Title of publication | Reactivity of Cp*Mo(NO)(CHCMe3) with Olefins and Dienes: C−H Activation Reactions of Molybdenacyclobutanes |
| Authors of publication | Graham, Peter M.; Buschhaus, Miriam S. A.; Pamplin, Craig B.; Legzdins, Peter |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 12 |
| Pages of publication | 2840 |
| a | 19.614 ± 0.002 Å |
| b | 17.1143 ± 0.0017 Å |
| c | 15.5191 ± 0.0017 Å |
| α | 90° |
| β | 118.88 ± 0.004° |
| γ | 90° |
| Cell volume | 4561.6 ± 0.8 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0355 |
| Residual factor for significantly intense reflections | 0.0253 |
| Weighted residual factors for significantly intense reflections | 0.0567 |
| Weighted residual factors for all reflections included in the refinement | 0.0591 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178603 (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 4/07/14. |
4071415.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071415.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071415.cif |
| 43827 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071415 via cif-deposit CGI script. |
4071415.cif |
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Users of the data should acknowledge the original authors of the
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