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Information card for entry 4072117
Preview
| Coordinates | 4072117.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H56 B2 P2 Pb Si2 |
|---|---|
| Calculated formula | C22 H56 B2 P2 Pb Si2 |
| SMILES | [Pb]1[C@]([P]([BH3])(CCC)CCC)([Si](C)(C)C)CC[C@@]1([P]([BH3])(CCC)CCC)[Si](C)(C)C.[Pb]1[C@@]([P]([BH3])(CCC)CCC)([Si](C)(C)C)CC[C@]1([P]([BH3])(CCC)CCC)[Si](C)(C)C |
| Title of publication | Agostic-Type B−H···Pb Interactions Stabilize a Dialkylplumbylene. Structure of and Bonding in [{nPr2P(BH3)}(Me3Si)C(CH2)]2Pb |
| Authors of publication | Izod, Keith; McFarlane, William; Wills, Corinne; Clegg, William; Harrington, Ross W. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 17 |
| Pages of publication | 4386 |
| a | 11.4175 ± 0.0008 Å |
| b | 17.6207 ± 0.0013 Å |
| c | 16.6197 ± 0.0012 Å |
| α | 90° |
| β | 106.796 ± 0.001° |
| γ | 90° |
| Cell volume | 3201 ± 0.4 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0508 |
| Residual factor for significantly intense reflections | 0.0437 |
| Weighted residual factors for significantly intense reflections | 0.0899 |
| Weighted residual factors for all reflections included in the refinement | 0.0929 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.6895 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178610 (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 4/07/21. |
4072117.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072117.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072117.cif |
| 44246 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4072117, 4072118 via cif-deposit CGI script. |
4072117.cif |
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