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Information card for entry 4070546
Preview
| Coordinates | 4070546.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 01022a |
|---|---|
| Formula | C29 H54 Ca N P Si2 |
| Calculated formula | C29 H54 Ca N P Si2 |
| SMILES | [Ca]123456789([c]%10([P+]([c]%115[c]6([c]7([c]8([c]9%11C)C)C)C)(C)C(C)(C)C)[c]1([c]2([c]3([c]4%10C)C)C)C)N([Si](C)(C)C)[Si](C)(C)C |
| Title of publication | s-Block Metal Complexes of the Bis(tetramethylcyclopentadienyl) Phosphonium Diylide [Me(t-Bu)P(C5Me4)2]− |
| Authors of publication | Brady, Erik D.; Chmely, Stephen C.; Jayaratne, Kumudini C.; Hanusa, Timothy P.; Young, Victor G. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 7 |
| Pages of publication | 1612 |
| a | 15.615 ± 0.005 Å |
| b | 10.092 ± 0.003 Å |
| c | 21.098 ± 0.006 Å |
| α | 90° |
| β | 104.88 ± 0.005° |
| γ | 90° |
| Cell volume | 3213.3 ± 1.7 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.1257 |
| Residual factor for significantly intense reflections | 0.0464 |
| Weighted residual factors for significantly intense reflections | 0.0568 |
| Weighted residual factors for all reflections included in the refinement | 0.1365 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178594 (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 4/07/05. |
4070546.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070546.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070546.cif |
| 42554 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070546 via cif-deposit CGI script. |
4070546.cif |
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Users of the data should acknowledge the original authors of the
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