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Information card for entry 4067783
Preview
| Coordinates | 4067783.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H52 Mn2 P4 |
|---|---|
| Calculated formula | C26 H52 Mn2 P4 |
| SMILES | [cH]12[cH]3[cH]4[cH]5[cH]1[Mn]162345([PH](C(C)(C)C)[Mn]23456([cH]6[cH]2[cH]3[cH]4[cH]56)([PH]1C(C)(C)C)[P]C(C)(C)C)[P]C(C)(C)C |
| Title of publication | Structure and Bonding of the Manganese(II) Phosphide Complex (t-BuPH2)(η5-Cp)Mn{μ-(t-BuPH)}2Mn(Cp)(t-BuPH2) |
| Authors of publication | Stokes, Francesca A.; Less, Robert J.; Haywood, Joanna; Melen, Rebecca L.; Thompson, Richard I.; Wheatley, Andrew E. H.; Wright, Dominic S.; Johansson, Adam Johannes; Kloo, Lars |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 1 |
| Pages of publication | 23 |
| a | 9.1287 ± 0.0001 Å |
| b | 9.1287 ± 0.0001 Å |
| c | 35.7743 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2981.19 ± 0.05 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 96 |
| Hermann-Mauguin space group symbol | P 43 21 2 |
| Hall space group symbol | P 4nw 2abw |
| Residual factor for all reflections | 0.0188 |
| Residual factor for significantly intense reflections | 0.0186 |
| Weighted residual factors for significantly intense reflections | 0.0545 |
| Weighted residual factors for all reflections included in the refinement | 0.0546 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.242 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178568 (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 4/06/77. |
4067783.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067783.cif |
| 37981 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 4067783 via cif-deposit CGI script. |
4067783.cif |
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Users of the data should acknowledge the original authors of the
structural data.