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Information card for entry 4325850
Preview
| Coordinates | 4325850.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H53 B10 Cl P4 Pd2 |
|---|---|
| Calculated formula | C32 H53 B10 Cl P4 Pd2 |
| SMILES | [Pd]1234([P](C)(C)c5ccccc5)([Pd]567(Cl)([P](C)(C)c8ccccc8)[BH]891[BH]1%102[BH]2%113[BH]345[BH]45%11[BH]%11%102[BH]291[BH]168[B]734([P](C)(C)c3ccccc3)[BH]5%1121)[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 | 11.798 ± 0.002 Å |
| b | 16.341 ± 0.003 Å |
| c | 21.652 ± 0.004 Å |
| α | 90° |
| β | 98.427 ± 0.001° |
| γ | 90° |
| Cell volume | 4129.2 ± 1.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.059 |
| Residual factor for significantly intense reflections | 0.0412 |
| Weighted residual factors for significantly intense reflections | 0.0942 |
| Weighted residual factors for all reflections included in the refinement | 0.1046 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| 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. |
4325850.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4325850.cif |
| 46886 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4325850 via cif-deposit CGI script. |
4325850.cif |
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Users of the data should acknowledge the original authors of the
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