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Information card for entry 4071663
Preview
| Coordinates | 4071663.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H60 Ba N4 Si4 |
|---|---|
| Calculated formula | C33 H60 Ba N4 Si4 |
| SMILES | [Ba](N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C |
| Title of publication | Synthesis, Characterization, and Solution Lability of N-Heterocyclic Carbene Adducts of the Heavier Group 2 Bis(trimethylsilyl)amides |
| Authors of publication | Barrett, Anthony G. M.; Crimmin, Mark R.; Hill, Michael S.; Kociok-Köhn, Gabriele; MacDougall, Dugald J.; Mahon, Mary F.; Procopiou, Panayiotis A. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 15 |
| Pages of publication | 3939 |
| a | 11.6902 ± 0.0002 Å |
| b | 11.6877 ± 0.0002 Å |
| c | 15.7698 ± 0.0003 Å |
| α | 91.931 ± 0.001° |
| β | 91.114 ± 0.001° |
| γ | 96.964 ± 0.001° |
| Cell volume | 2136.94 ± 0.07 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0736 |
| Residual factor for significantly intense reflections | 0.048 |
| Weighted residual factors for significantly intense reflections | 0.1177 |
| Weighted residual factors for all reflections included in the refinement | 0.1327 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178605 (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 4/07/16. |
4071663.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071663.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071663.cif |
| 43964 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071660, 4071661, 4071662, 4071663, 4071664 via cif-deposit CGI script. |
4071663.cif |
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Users of the data should acknowledge the original authors of the
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