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Information card for entry 4102396
Preview
| Coordinates | 4102396.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34.41 H40 Ni2 O4.41 P2 |
|---|---|
| Calculated formula | C34.3884 H40 Ni1.9942 O4.3884 P2 |
| 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 | 7.1846 ± 0.0013 Å |
| b | 25.477 ± 0.004 Å |
| c | 9.4217 ± 0.0016 Å |
| α | 90° |
| β | 100.794 ± 0.011° |
| γ | 90° |
| Cell volume | 1694.1 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1479 |
| Residual factor for significantly intense reflections | 0.0651 |
| Weighted residual factors for significantly intense reflections | 0.0634 |
| Weighted residual factors for all reflections included in the refinement | 0.0709 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.248 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
4102396.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. |
4102396.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4102396.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4102396.cif |
| 25261 | 2011-09-09 | ../uploads/cif-deposit/cod/cif Adding structures of 4102396 via cif-deposit CGI script. |
4102396.cif |
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Users of the data should acknowledge the original authors of the
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