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Information card for entry 4074342
Preview
| Coordinates | 4074342.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C74 H88 N4 Na4 P4 Si4 |
|---|---|
| Calculated formula | C74 H88 N4 Na4 P4 Si4 |
| SMILES | [Na]123[N]4([Na]56[N]7([Na]89[N]%10([Na]%11([N]1(=P([C]369%11P=7(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Si](C)(C)C)[C]258(P=4(c1ccccc1)c1ccccc1)P=%10(c1ccccc1)c1ccccc1)[Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C.c1ccccc1.c1ccccc1 |
| Title of publication | Structural Characterization and Dynamic Solution Behavior of the Disodio and Lithio−Sodio Geminal Organodimetallics [{{Ph2P(Me3Si)N}2CNa2}2] and [{{Ph2P(Me3Si)N}2CLiNa}2] |
| Authors of publication | Hull, Katherine L.; Noll, Bruce C.; Henderson, Kenneth W. |
| Journal of publication | Organometallics |
| Year of publication | 2006 |
| Journal volume | 25 |
| Journal issue | 17 |
| Pages of publication | 4072 |
| a | 12.3275 ± 0.0002 Å |
| b | 17.0832 ± 0.0003 Å |
| c | 19.6578 ± 0.0004 Å |
| α | 101.451 ± 0.001° |
| β | 103.195 ± 0.001° |
| γ | 103.745 ± 0.001° |
| Cell volume | 3772.65 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0408 |
| Residual factor for significantly intense reflections | 0.0324 |
| Weighted residual factors for significantly intense reflections | 0.0848 |
| Weighted residual factors for all reflections included in the refinement | 0.0921 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178632 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/43. |
4074342.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4074342.cif |
| 48322 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4074342 via cif-deposit CGI script. |
4074342.cif |
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