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Information card for entry 4065581
Preview
| Coordinates | 4065581.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C50 H48 Cu4 F24 N20 O2 P4 |
|---|---|
| Calculated formula | C50 H48 Cu4 F24 N20 O2 P4 |
| SMILES | [P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].n12[Cu]34([N]#CC)[OH]5[Cu]678=C9N(Cc%10cc%11CN%12C%13N(C=C%12)c%12[n](cccc%12)[Cu]=%13(n%11[n]7%10)([N]#CC)[OH]6[Cu]675=C5N(Cc(cc1CN1C=3N(C=C1)c1[n]4cccc1)[n]27)C=CN5c1[n]6cccc1)C=CN9c1[n]8cccc1.C(#N)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].C(#N)C |
| Title of publication | Copper(II) Hydroxide Complexes of N-Heterocyclic Carbenes and Catalytic Oxidative Amination of Arylboronic Acids |
| Authors of publication | Liu, Bo; Liu, Bin; Zhou, Yongbo; Chen, Wanzhi |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 6 |
| Pages of publication | 1457 |
| a | 12.1951 ± 0.0016 Å |
| b | 12.2169 ± 0.0015 Å |
| c | 12.7873 ± 0.0017 Å |
| α | 78.2 ± 0.002° |
| β | 81.688 ± 0.002° |
| γ | 64.546 ± 0.001° |
| Cell volume | 1680.4 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0811 |
| Residual factor for significantly intense reflections | 0.0502 |
| Weighted residual factors for significantly intense reflections | 0.1368 |
| Weighted residual factors for all reflections included in the refinement | 0.1475 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.986 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178548 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/55. |
4065581.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4065581.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4065581.cif |
| 33608 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4065579, 4065580, 4065581, 4065582, 4065583 via cif-deposit CGI script. |
4065581.cif |
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Users of the data should acknowledge the original authors of the
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