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Information card for entry 4320056
Preview
| Coordinates | 4320056.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H41.21 B2 Cl0.79 P2 |
|---|---|
| Calculated formula | C16 H41.213 B2 Cl0.787 P2 |
| 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 | 8.7446 ± 0.0003 Å |
| b | 24.6411 ± 0.0009 Å |
| c | 10.4574 ± 0.0005 Å |
| α | 90° |
| β | 101.857 ± 0.002° |
| γ | 90° |
| Cell volume | 2205.25 ± 0.15 Å3 |
| Cell temperature | 240 ± 1 K |
| Ambient diffraction temperature | 240 ± 1 K |
| Number of distinct elements | 5 |
| 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 | 0.0947 |
| Residual factor for significantly intense reflections | 0.0535 |
| Weighted residual factors for significantly intense reflections | 0.1222 |
| Weighted residual factors for all reflections included in the refinement | 0.1381 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4320056.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4320056.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4320056.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' ) & |
4320056.cif |
| 16901 | 2011-03-29 | ../uploads/cif-deposit/cod/cif Adding structures of 4320056 via cif-deposit CGI script. |
4320056.cif |
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