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Information card for entry 4070688
Preview
| Coordinates | 4070688.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H35 Mo2 Ni O3 P |
|---|---|
| Calculated formula | C35 H35 Mo2 Ni O3 P |
| SMILES | [Mo]12345678([Mo]9%10%11%12%13([Ni]%14%15%16%171(C3=O)([C]49=O)[c]1([c]%14([c]%15([c]%16([c]%171C)C)C)C)C)([P]2(c1ccccc1)c1ccccc1)(C#[O])[cH]1[cH]%10[cH]%11[cH]%12[cH]%131)[cH]1[cH]5[cH]6[cH]7[cH]81 |
| Title of publication | Carbon−Phosphorus Bond Cleavage in Allyldiphenylphosphine by a Heterobimetallic NiMo Complex and Formation of an Electronically Unsaturated NiMo2μ-Diphenylphosphido Cluster |
| Authors of publication | Clapham, Sarah; Braunstein, Pierre; Boag, Neil M.; Welter, Richard; Chetcuti, Michael J. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 8 |
| Pages of publication | 1758 |
| a | 42.922 ± 0.005 Å |
| b | 14.0273 ± 0.001 Å |
| c | 10.2398 ± 0.001 Å |
| α | 90° |
| β | 92.03 ± 0.05° |
| γ | 90° |
| Cell volume | 6161.3 ± 1.1 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 | 0.0593 |
| Residual factor for significantly intense reflections | 0.0394 |
| Weighted residual factors for significantly intense reflections | 0.0909 |
| Weighted residual factors for all reflections included in the refinement | 0.0975 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4070688.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070688.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070688.cif |
| 42645 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070688 via cif-deposit CGI script. |
4070688.cif |
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Users of the data should acknowledge the original authors of the
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