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Information card for entry 4325849
Preview
| Coordinates | 4325849.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H54 B10 P4 Pd2 |
|---|---|
| Calculated formula | C32 H54 B10 P4 Pd2 |
| SMILES | [BH]1234[Pd]567([P](C)(C)c8ccccc8)([BH]89%10[BH]%11%12%13[BH]%14%158[BH]869[BH]615[BH]152[BH]3%11([BH]%12%141[BH]%15865)[Pd]47%10%13([P](C)(C)c1ccccc1)[P](C)(C)c1ccccc1)[P](C)(C)c1ccccc1 |
| Title of publication | Reversible Capture of Small Molecules On Bimetallaborane Clusters: Synthesis, Structural Characterization, and Photophysical Aspects |
| Authors of publication | Jonathan Bould; Tomáš Baše; Michael G. S. Londesborough; Luis A. Oro; Ramón Macías; John D. Kennedy; Pavel Kubát; Marcel Fuciman; Tomáš Polívka; Kamil Lang |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 7511 - 7523 |
| a | 23.4332 ± 0.0003 Å |
| b | 11.4378 ± 0.0002 Å |
| c | 17.2521 ± 0.0003 Å |
| α | 90° |
| β | 122.771 ± 0.001° |
| γ | 90° |
| Cell volume | 3888.03 ± 0.12 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.044 |
| Residual factor for significantly intense reflections | 0.0323 |
| Weighted residual factors for significantly intense reflections | 0.0761 |
| Weighted residual factors for all reflections included in the refinement | 0.0809 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179361 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/58. |
4325849.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4325849.cif |
| 46885 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4325849 via cif-deposit CGI script. |
4325849.cif |
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Users of the data should acknowledge the original authors of the
structural data.