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Information card for entry 4072261
Preview
| Coordinates | 4072261.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H21 F12 N9 Ni2 O P2 |
|---|---|
| Calculated formula | C23 H21 F12 N9 Ni2 O P2 |
| SMILES | [Ni]123=C4N(Cc5n2[n]2[Ni]6(=C7N(Cc2c5)C=CN7c2[n]6cccc2)[OH]1)C=CN4c1[n]3cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC |
| Title of publication | Dinickel(II) Complexes of Bis(N-heterocyclic carbene) Ligands Containing [Ni2(μ-OH)] Cores as Highly Efficient Catalysts for the Coupling of Aryl Chlorides |
| Authors of publication | Zhou, Yongbo; Xi, Zhenxing; Chen, Wanzhi; Wang, Daqi |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 22 |
| Pages of publication | 5911 |
| a | 8.0204 ± 0.001 Å |
| b | 13.7196 ± 0.0015 Å |
| c | 14.9468 ± 0.0018 Å |
| α | 109.605 ± 0.009° |
| β | 96.764 ± 0.001° |
| γ | 101.033 ± 0.01° |
| Cell volume | 1491 ± 0.3 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 | 0.0803 |
| Residual factor for significantly intense reflections | 0.0518 |
| Weighted residual factors for significantly intense reflections | 0.1357 |
| Weighted residual factors for all reflections included in the refinement | 0.1615 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178611 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/22. |
4072261.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072261.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072261.cif |
| 44309 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4072259, 4072260, 4072261 via cif-deposit CGI script. |
4072261.cif |
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