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Information card for entry 4069878
Preview
| Coordinates | 4069878.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H31 Ni P |
|---|---|
| Calculated formula | C20 H31 Ni P |
| SMILES | [Ni]12345([P](CC[c]61[cH]2[cH]3[c]14[c]56cccc1)(C(C)(C)C)C(C)(C)C)C |
| Title of publication | The First η5-Indenylnickel Chelate Complexes with a Pendant Phosphane Tether |
| Authors of publication | Hussain, Mazhar; Kohser, Stefanie; Janssen, Karin; Wartchow, Rudolf; Butenschön, Holger |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 17 |
| Pages of publication | 5212 |
| a | 11.668 ± 0.003 Å |
| b | 12.848 ± 0.005 Å |
| c | 25.332 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3797.5 ± 1.8 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 300 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P c a b |
| Hall space group symbol | -P 2bc 2ac |
| Residual factor for all reflections | 0.0496 |
| Residual factor for significantly intense reflections | 0.0301 |
| Weighted residual factors for significantly intense reflections | 0.0699 |
| Weighted residual factors for all reflections included in the refinement | 0.074 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178587 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/98. |
4069878.cif |
| 132134 | 2015-02-21 | cif/ (antanas@koala.ibt.lt) Changing various placeholders in '_chemical_name_systematic' tag value into '?' for CIFs 2009056, 4030135, 4327435, 4069878, 7006563, 7031531. |
4069878.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4069878.cif |
| 40491 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4069878 via cif-deposit CGI script. |
4069878.cif |
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