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Information card for entry 4102394
Preview
| Coordinates | 4102394.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H40 Ni P2 |
|---|---|
| Calculated formula | C30 H40 Ni P2 |
| SMILES | [Ni]123[P](c4ccccc4C4=CC=C([CH]3=[CH]24)c2ccccc2[P]1(C(C)C)C(C)C)(C(C)C)C(C)C |
| Title of publication | Synthesis and C-C Coupling Reactivity of a Dinuclear NiI-NiI Complex Supported by a Terphenyl Diphosphine |
| Authors of publication | Alexandra Velian; Sibo Lin; Alexander J. M. Miller; Michael W. Day; Theodor Agapie |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2010 |
| Journal volume | 132 |
| Pages of publication | 6296 - 6297 |
| a | 8.577 ± 0.0003 Å |
| b | 14.8684 ± 0.0005 Å |
| c | 21.6483 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2760.73 ± 0.16 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.039 |
| Residual factor for significantly intense reflections | 0.0302 |
| Weighted residual factors for significantly intense reflections | 0.0568 |
| Weighted residual factors for all reflections included in the refinement | 0.0584 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.311 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
4102394.cif |
| 178769 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/23. |
4102394.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4102394.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4102394.cif |
| 25259 | 2011-09-09 | ../uploads/cif-deposit/cod/cif Adding structures of 4102394 via cif-deposit CGI script. |
4102394.cif |
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Users of the data should acknowledge the original authors of the
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