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Information card for entry 8100879
Preview
| Coordinates | 8100879.cif |
|---|---|
| External links | PubChem |
| Formula | C35 H60 B F4 P2 Rh |
|---|---|
| Calculated formula | C35 H60 B F4 P2 Rh |
| SMILES | [CH]12=[CH]3C4[CH]5=[CH](C1C4)[Rh]1235[P](CCCC[P]1(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1.[B](F)(F)(F)[F-] |
| Title of publication | Crystal structure of 1,4-bis(dicyclohexylphosphino)-butane rhodium (I)-norborna-2,5-diene tetrafluoroborate, C~35~H~60~BF~4~P~2~Rh, and of 1,4-bis(dicyclohexylphosphino)-butane rhodium(I)-(Z,Z)-cycloocta- 1,5-diene tetrafluoroborate, C~36~H~64~BF~4~P~2~Rh |
| Authors of publication | Kempe, Rhett; Spannenberg, Anke; Heller, Detlef |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2001 |
| Journal volume | 216 |
| Journal issue | 1 |
| Pages of publication | 161 - 164 |
| a | 19.225 ± 0.004 Å |
| b | 10.487 ± 0.002 Å |
| c | 17.636 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3555.6 ± 1.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for significantly intense reflections | 0.054 |
| Weighted residual factors for significantly intense reflections | 0.0987 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8100879.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
8100879.cif |
| 103177 | 2014-02-26 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8100879.cif |
| 100679 | 2014-02-06 | cif/8/ (antanas@lokys.ibt.lt) Adding paper volume. |
8100879.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8100879.cif |
| 5310 | 2011-01-02 | cif/ Running cif_fix_enum with the core CIF dictionary on COD ranges 2, 8 and 9. Range 9 remained unchanged, and in ranges 2 and 8 there were 17309 modified files, most changes were fixes enumerator case. |
8100879.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
8100879.cif |
| 19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
8100879.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
8100879.cif |
| 13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
8100879.cif |
| 1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
8100879.cif |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.