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Information card for entry 7013887
Preview
| Coordinates | 7013887.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C50 H58 B5 O12 P2 Rh |
|---|---|
| Calculated formula | C50 H58 B5 O12 P2 Rh |
| SMILES | [Rh]123([P](c4ccccc4)(c4ccccc4)c4ccccc4)([P](c4ccccc4)(c4ccccc4)c4ccccc4)[CH]4=[CH]1CC[CH]2=[CH]3CC4.O1[B]2(OB(OB1O)O)OB(OB(O2)O)O.O=C(C)C.O=C(C)C |
| Title of publication | Cationic Rh complexes with novel spiro tetraarylpentaborate anions prepared from arylboronic acids and aryloxorhodium complexes. |
| Authors of publication | Nishihara, Yasushi; Nara, Kyoko; Nishide, Yasuhiro; Osakada, Kohtaro |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2004 |
| Journal issue | 9 |
| Pages of publication | 1366 - 1375 |
| a | 19.578 ± 0.008 Å |
| b | 9.863 ± 0.005 Å |
| c | 27.813 ± 0.006 Å |
| α | 90° |
| β | 103.15 ± 0.03° |
| γ | 90° |
| Cell volume | 5230 ± 4 Å3 |
| Cell temperature | 296.1 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 significantly intense reflections | 0.056 |
| Weighted residual factors for all reflections included in the refinement | 0.067 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.978 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301847 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/01/ Each referenced PubChem compound corresponds to the full crystal structure. |
7013887.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7013887.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7013887.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7013887.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' ) & |
7013887.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7013887.cif |
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