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Information card for entry 4319673
Preview
| Coordinates | 4319673.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H68 N4 Na2 O4 P2 S2 |
|---|---|
| Calculated formula | C32 H68 N4 Na2 O4 P2 S2 |
| SMILES | [S]1=P23N(C(C)(C)C)P4(=[S][Na]1([O]1CCCC1)([O]1CCCC1)[N]24C(C)(C)C)[N](C(C)(C)C)[Na]([O]1CCCC1)([O]1CCCC1)([N]3C(C)(C)C) |
| Title of publication | Preparation and X-ray Structures of Alkali-Metal Derivatives of the Ambidentate Anions [tBuN(E)P(μ-NtBu)2P(E)NtBu]2- (E = S, Se) and [tBuN(Se)P(μ-NtBu)2PN(H)tBu)]- |
| Authors of publication | Tristram Chivers; Mark Krahn; Masood Parvez; Gabriele Schatte |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2001 |
| Journal volume | 40 |
| Pages of publication | 2547 - 2553 |
| a | 10.4015 ± 0.0015 Å |
| b | 21.147 ± 0.003 Å |
| c | 9.9192 ± 0.0012 Å |
| α | 90.314 ± 0.015° |
| β | 94.771 ± 0.011° |
| γ | 100.287 ± 0.016° |
| Cell volume | 2138.9 ± 0.5 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.3334 |
| Residual factor for significantly intense reflections | 0.0551 |
| Weighted residual factors for significantly intense reflections | 0.1247 |
| Weighted residual factors for all reflections included in the refinement | 0.2081 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.947 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179276 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/96. |
4319673.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4319673.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4319673.cif |
| 16474 | 2011-03-24 | ../uploads/cif-deposit/cod/cif Adding structures of 4319673 via cif-deposit CGI script. |
4319673.cif |
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Users of the data should acknowledge the original authors of the
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