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Information card for entry 4104662
Preview
| Coordinates | 4104662.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | holph04 |
|---|---|
| Formula | C70 H106 Co2 N6 Na2 |
| Calculated formula | C70 H106 Co2 N6 Na2 |
| SMILES | [Co]1(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C(C)(C)C)C(C)(C)C)c1c(cccc1C(C)C)C(C)C)[N]12[Na][N]=2([Co]2N(C(=CC(=[N]2c2c(cccc2C(C)C)C(C)C)C(C)(C)C)C(C)(C)C)c2c(cccc2C(C)C)C(C)C)[Na]1 |
| Title of publication | Cobalt-Dinitrogen Complexes with Weakened N-N Bonds |
| Authors of publication | Keying Ding; Aaron W. Pierpont; William W. Brennessel; Gudrun Lukat-Rodgers; Kenton R. Rodgers; Thomas R. Cundari; Eckhard Bill; Patrick L. Holland |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2009 |
| Journal volume | 131 |
| Pages of publication | 9471 - 9472 |
| a | 12.6815 ± 0.0011 Å |
| b | 12.856 ± 0.0011 Å |
| c | 24.425 ± 0.002 Å |
| α | 88.476 ± 0.002° |
| β | 88.613 ± 0.002° |
| γ | 63.648 ± 0.001° |
| Cell volume | 3566.7 ± 0.5 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1933 |
| Residual factor for significantly intense reflections | 0.0894 |
| Weighted residual factors for significantly intense reflections | 0.195 |
| Weighted residual factors for all reflections included in the refinement | 0.2217 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.967 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178792 (current) | 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 4/10/46. |
4104662.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4104662.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4104662.cif |
| 29688 | 2011-11-04 | ../uploads/cif-deposit/cod/cif Adding structures of 4104662 via cif-deposit CGI script. |
4104662.cif |
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