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Information card for entry 8101998
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| Coordinates | 8101998.cif |
|---|
| Chemical name | diiodo-bis[(4R,5R)-trans-4,5-bis(diphenylphosphinomethyl)-2,2-dimethyl-1,3- dioxalane]dicopper(I) |
|---|---|
| Formula | C62 H64 Cu2 I2 O4 P4 |
| Calculated formula | C62 H64 Cu2 I2 O4 P4 |
| SMILES | [I]1[Cu]23[I][Cu]1([P](C[C@H]1OC(O[C@@H]1C[P]2(c1ccccc1)c1ccccc1)(C)C)(c1ccccc1)c1ccccc1)[P](C[C@H]1OC(O[C@@H]1C[P]3(c1ccccc1)c1ccccc1)(C)C)(c1ccccc1)c1ccccc1 |
| Title of publication | Crystal structure of diiodo-bis[(4R,5R)-trans-4,5-bis[(diphenylphosphinomethyl)- 2,2-dimethyl-1,3-dioxalane]dicopper(I), Cu~2~I~2~(C~31~H~32~O~2~P~2~)~2~ |
| Authors of publication | Deng, Y.-H.; Yang, Y.-L.; Yang, X.-J. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2006 |
| Journal volume | 221 |
| Journal issue | 3 |
| Pages of publication | 316 - 318 |
| a | 10.0989 ± 0.0002 Å |
| b | 12.8084 ± 0.0001 Å |
| c | 12.8423 ± 0.0002 Å |
| α | 65.074 ± 0.001° |
| β | 84.31° |
| γ | 87.854 ± 0.001° |
| Cell volume | 1498.99 ± 0.04 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0447 |
| Residual factor for significantly intense reflections | 0.0359 |
| Weighted residual factors for significantly intense reflections | 0.0927 |
| Weighted residual factors for all reflections included in the refinement | 0.0976 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| 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. |
8101998.cif |
| 107950 | 2014-03-25 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8101998.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101998.cif |
| 12737 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 8101998 via cif-deposit CGI script. |
8101998.cif |
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