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Information card for entry 4071823
Preview
| Coordinates | 4071823.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H68 N4 Na2 O2 Zn |
|---|---|
| Calculated formula | C48 H68 N4 Na2 O2 Zn |
| SMILES | [Zn]12([N]3([Na]([N]1(C(=C3C)C)c1c(cccc1C)C)[O](CC)CC)c1c(cccc1C)C)[N]1([Na]([N]2(C(=C1C)C)c1c(cccc1C)C)[O](CC)CC)c1c(cccc1C)C |
| Title of publication | Dinuclear versus Mononuclear Zinc Compounds from Reduction of LZnCl2(L = α-Diimine Ligands): Effects of the Ligand Substituent, Reducing Agent, and Solvent |
| Authors of publication | Yu, Jie; Yang, Xiao-Juan; Liu, Yanyan; Pu, Zhifeng; Li, Qian-Shu; Xie, Yaoming; Schaefer, Henry F.; Wu, Biao |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 22 |
| Pages of publication | 5800 |
| a | 11.5189 ± 0.0005 Å |
| b | 23.1977 ± 0.0009 Å |
| c | 18.0425 ± 0.0007 Å |
| α | 90° |
| β | 96.279 ± 0.002° |
| γ | 90° |
| Cell volume | 4792.3 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1383 |
| Residual factor for significantly intense reflections | 0.059 |
| Weighted residual factors for significantly intense reflections | 0.1439 |
| Weighted residual factors for all reflections included in the refinement | 0.1826 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.964 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178607 (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 4/07/18. |
4071823.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4071823.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071823.cif |
| 44063 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071822, 4071823, 4071824, 4071825 via cif-deposit CGI script. |
4071823.cif |
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