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Information card for entry 4104671
Preview
| Coordinates | 4104671.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H23 B10 Cl Pd Se2 |
|---|---|
| Calculated formula | C16 H23 B10 Cl Pd Se2 |
| SMILES | [Pd]12([Se](C[C]3456[B]7892[C]2%10%11(C[Se]1c1ccccc1)[BH]168[BH]685[BH]5%124[BH]437[BH]392[BH]254[BH]46%12[BH]%1018[BH]%11324)c1ccccc1)Cl |
| Title of publication | Carborane-Based Pincers: Synthesis and Structure of SeBSe and SBS Pd(II) Complexes |
| Authors of publication | Alexander M. Spokoyny; Matthew G. Reuter; Charlotte L. Stern; Mark A. Ratner; Tamar Seideman; Chad A. Mirkin |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2009 |
| Journal volume | 131 |
| Pages of publication | 9482 - 9483 |
| a | 12.4086 ± 0.0003 Å |
| b | 11.5587 ± 0.0002 Å |
| c | 16.2997 ± 0.0003 Å |
| α | 90° |
| β | 109.173 ± 0.001° |
| γ | 90° |
| Cell volume | 2208.15 ± 0.08 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0362 |
| Residual factor for significantly intense reflections | 0.0253 |
| Weighted residual factors for significantly intense reflections | 0.0606 |
| Weighted residual factors for all reflections included in the refinement | 0.0642 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.143 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178792 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/46. |
4104671.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4104671.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4104671.cif |
| 29697 | 2011-11-04 | ../uploads/cif-deposit/cod/cif Adding structures of 4104671 via cif-deposit CGI script. |
4104671.cif |
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Users of the data should acknowledge the original authors of the
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