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Information card for entry 4325854
Preview
| Coordinates | 4325854.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H60 B10 O2 P4 Pd2 S |
|---|---|
| Calculated formula | C38 H60 B10 O2 P4 Pd2 S |
| SMILES | [Pd]12345(S(=O)(=O)[Pd]6781([P](c1ccccc1)(C)C)([BH]192[BH]2%103[BH]3%114[BH]456[BH]56%11[BH]%11%103[BH]392[BH]271[BH]845[BH]6%1132)[P](c1ccccc1)(C)C)([P](c1ccccc1)(C)C)[P](c1ccccc1)(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 | 23.964 ± 0.005 Å |
| b | 10.788 ± 0.002 Å |
| c | 17.682 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4571.2 ± 1.6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0565 |
| Residual factor for significantly intense reflections | 0.0433 |
| Weighted residual factors for significantly intense reflections | 0.1069 |
| Weighted residual factors for all reflections included in the refinement | 0.1152 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| 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. |
4325854.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4325854.cif |
| 46890 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4325854 via cif-deposit CGI script. |
4325854.cif |
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Users of the data should acknowledge the original authors of the
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