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Information card for entry 4311310
Preview
| Coordinates | 4311310.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H60 Cl4 N4 Ni2 O8 |
|---|---|
| Calculated formula | C32 H60 Cl4 N4 Ni2 O8 |
| SMILES | C12=[N](C(C)(C)CO2)[Ni]23([N]4C(COC=4C([OH]2)(C)C)(C)C)([OH]C1(C)C)[Cl][Ni]12([N]4=C(C(C)(C)[OH]1)OCC4(C)C)([N]1C(COC=1C([OH]2)(C)C)(C)C)[Cl]3.[Cl-].[Cl-] |
| Title of publication | Dinuclear Nickel Complexes with Bidentate N,O Ligands: Synthesis, Structure, and Catalytic Oligomerization of Ethylene |
| Authors of publication | Fredy Speiser; Pierre Braunstein; Lucien Saussine |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2004 |
| Journal volume | 43 |
| Pages of publication | 4234 - 4240 |
| a | 10.018 ± 0.005 Å |
| b | 10.698 ± 0.005 Å |
| c | 11.48 ± 0.005 Å |
| α | 74.896 ± 0.005° |
| β | 64.424 ± 0.005° |
| γ | 76.629 ± 0.005° |
| Cell volume | 1061.4 ± 0.9 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0867 |
| Residual factor for significantly intense reflections | 0.046 |
| Weighted residual factors for significantly intense reflections | 0.0963 |
| Weighted residual factors for all reflections included in the refinement | 0.1113 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.87 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301837 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/31/ Each referenced PubChem compound corresponds to the full crystal structure. |
4311310.cif |
| 179152 | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/13. |
4311310.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4311310.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4311310.cif |
| 2805 | 2010-11-12 | ../uploads/cif-deposit/cod/cif Adding structures of 4311310 via cif-deposit CGI script. |
4311310.cif |
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