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Information card for entry 8102120
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| Coordinates | 8102120.cif |
|---|
| Chemical name | (η^4^-cyclo-octa-1,5-dien)-N-(2-(diphenylphosphinooxy)-3-(naphthalen-1- yloxy)propyl)-N-(pentan-3-yl)-1,1-diphenylphosphinamine-rhodium(I) tetrafluoroborate |
|---|---|
| Formula | C50 H55 B F4 N O2 P2 Rh |
| Calculated formula | C50 H55 B F4 N O2 P2 Rh |
| SMILES | [Rh]1234([P](O[C@@H](CN([P]1(c1ccccc1)c1ccccc1)C(CC)CC)COc1cccc5ccccc15)(c1ccccc1)c1ccccc1)[CH]1=[CH]2CC[CH]3=[CH]4CC1.[B](F)(F)(F)[F-] |
| Title of publication | Crystal structure of (h^4^-cycloocta-1,5-dien)-N-(2-(diphenylphosphinooxy)- 3-(naphthalen-1-yloxy)propyl)-N-(pentan-3-yl)-1,1-diphenylphosphinamine- rhodium(I) tetrafluoroborate, [Rh(C~8~H~12~)(C~42~H~43~NO~2~P~2~)] [BF~4~] |
| Authors of publication | Dai, Z.; Heller, D.; Preetz, A.; Drexler, H.-J. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2007 |
| Journal volume | 222 |
| Journal issue | 2 |
| Pages of publication | 111 - 113 |
| a | 12.722 ± 0.003 Å |
| b | 15.248 ± 0.003 Å |
| c | 12.818 ± 0.003 Å |
| α | 90° |
| β | 115.8 ± 0.03° |
| γ | 90° |
| Cell volume | 2238.6 ± 1 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0423 |
| Residual factor for significantly intense reflections | 0.0362 |
| Weighted residual factors for significantly intense reflections | 0.0774 |
| Weighted residual factors for all reflections included in the refinement | 0.079 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176728 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102120.cif |
| 108257 | 2014-03-29 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8102120.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102120.cif |
| 12859 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102120 via cif-deposit CGI script. |
8102120.cif |
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