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Information card for entry 4320055
Preview
| Coordinates | 4320055.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H42 B2 P2 |
|---|---|
| Calculated formula | C16 H42 B2 P2 |
| SMILES | [P](C(C)(C)C)(C(C)(C)C)([BH2][PH](C(C)(C)C)C(C)(C)C)[BH3] |
| Title of publication | Rhodium-Catalyzed Dehydrocoupling of the Sterically Encumbered Phosphine-Borane Adduct tBu2PH.BH3: Synthesis of the Linear Dimers tBu2PH-BH2-tBu2P-BH3 and tBu2PH-BH2-tBu2P-BH2Cl |
| Authors of publication | Hendrik Dorn; Emira Vejzovic; Alan J. Lough; Ian Manners |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2001 |
| Journal volume | 40 |
| Pages of publication | 4327 - 4331 |
| a | 8.885 ± 0.0002 Å |
| b | 11.151 ± 0.0004 Å |
| c | 11.339 ± 0.0004 Å |
| α | 87.291 ± 0.0014° |
| β | 76.992 ± 0.0016° |
| γ | 70.411 ± 0.002° |
| Cell volume | 1030.76 ± 0.06 Å3 |
| Cell temperature | 150 ± 1 K |
| Ambient diffraction temperature | 150 ± 1 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0605 |
| Residual factor for significantly intense reflections | 0.0396 |
| Weighted residual factors for significantly intense reflections | 0.0891 |
| Weighted residual factors for all reflections included in the refinement | 0.0975 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301838 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure. |
4320055.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4320055.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4320055.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4320055.cif |
| 17004 | 2011-03-31 | cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif | sort | xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} | > cif_filter --add-cif-header {} | > sponge {} ) 2>&1 | grep NOTE; then svn revert {}; > fi' ) & |
4320055.cif |
| 16900 | 2011-03-29 | ../uploads/cif-deposit/cod/cif Adding structures of 4320055 via cif-deposit CGI script. |
4320055.cif |
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