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Information card for entry 4065074
Preview
| Coordinates | 4065074.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C90 H102 Li2 N4 P4 |
|---|---|
| Calculated formula | C90 H102 Li2 N4 P4 |
| SMILES | [Li]12[N](=P(C3[Li]([N](=P3(c3ccccc3)c3ccccc3)C34CC5CC(C3)CC(C4)C5)[N](=P(C2P(=[N]1C12CC3CC(C1)CC(C2)C3)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C12CC3CC(C1)CC(C2)C3)(c1ccccc1)c1ccccc1)C12CC3CC(C1)CC(C2)C3 |
| Title of publication | Group 1 Bis(iminophosphorano)methanides, Part 1:N-Alkyl and Silyl Derivatives of the Sterically Demanding Methanes H2C(PPh2NR)2(R = Adamantyl and Trimethylsilyl) |
| Authors of publication | Wooles, Ashley J.; Gregson, Matthew; Cooper, Oliver J.; Middleton-Gear, Amy; Mills, David P.; Lewis, William; Blake, Alexander J.; Liddle, Stephen T. |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 20 |
| Pages of publication | 5314 |
| a | 27.309 ± 0.0007 Å |
| b | 12.5276 ± 0.0003 Å |
| c | 22.2817 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7622.9 ± 0.3 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.063 |
| Residual factor for significantly intense reflections | 0.0499 |
| Weighted residual factors for significantly intense reflections | 0.1128 |
| Weighted residual factors for all reflections included in the refinement | 0.1192 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178503 (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 4/06/50. |
4065074.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4065074.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4065074.cif |
| 33151 | 2012-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4065071, 4065072, 4065073, 4065074, 4065075, 4065076, 4065077, 4065078, 4065079, 4065080 via cif-deposit CGI script. |
4065074.cif |
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Users of the data should acknowledge the original authors of the
structural data.