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Information card for entry 7012918
Preview
| Coordinates | 7012918.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Mo(CO)4{CyNHC(PPh2)NCy] |
|---|---|
| Formula | C29 H33 Mo N2 O4 P |
| Calculated formula | C29 H33 Mo N2 O4 P |
| SMILES | [Mo]1([P](C(=[N]1C1CCCCC1)NC1CCCCC1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[O] |
| Title of publication | Synthesis and coordination chemistry of neutral phospha(iii)guanidines. Formation of 1-aza-3-phospha-4-metallacyclobut-1-ene rings at group 6 metalsElectronic supplementary information (ESI) available: an ORTEP representation and bond lengths and angles for 3a; crystal structure and refinement data, bond lengths and angles and an ORTEP representation of the molecular structure of Mo(CO)4(pip)2. See http://www.rsc.org/suppdata/dt/b3/b302554c/ |
| Authors of publication | Grundy, Joanna; Coles, Martyn P.; Hitchcock, Peter B. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2003 |
| Journal issue | 12 |
| Pages of publication | 2573 |
| a | 32.0166 ± 0.0004 Å |
| b | 9.498 ± 0.0002 Å |
| c | 21.3176 ± 0.0003 Å |
| α | 90° |
| β | 118.448 ± 0.001° |
| γ | 90° |
| Cell volume | 5699.78 ± 0.17 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0266 |
| Residual factor for significantly intense reflections | 0.0234 |
| Weighted residual factors for significantly intense reflections | 0.0548 |
| Weighted residual factors for all reflections included in the refinement | 0.0566 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| 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 |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7012918.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7012918.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7012918.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7012918.cif |
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