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Information card for entry 4071660
Preview
| Coordinates | 4071660.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H66 Ca N2 O2 P2 Si4 |
|---|---|
| Calculated formula | C48 H66 Ca N2 O2 P2 Si4 |
| SMILES | C[Si](C)(C)N([Si](C)(C)C)[Ca](N([Si](C)(C)C)[Si](C)(C)C)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)[O]=P(c1ccccc1)(c1ccccc1)c1ccccc1 |
| 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 | 11.894 ± 0.0001 Å |
| b | 20.9365 ± 0.0002 Å |
| c | 21.9023 ± 0.0002 Å |
| α | 90° |
| β | 102.24 ± 0.001° |
| γ | 90° |
| Cell volume | 5330.1 ± 0.09 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0514 |
| Residual factor for significantly intense reflections | 0.0354 |
| Weighted residual factors for significantly intense reflections | 0.0811 |
| Weighted residual factors for all reflections included in the refinement | 0.089 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| 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. |
4071660.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071660.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071660.cif |
| 43964 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071660, 4071661, 4071662, 4071663, 4071664 via cif-deposit CGI script. |
4071660.cif |
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