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Information card for entry 4104663
Preview
| Coordinates | 4104663.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | holkd14 |
|---|---|
| Formula | C70 H106 Co2 K2 N6 |
| Calculated formula | C70 H106 Co2 K2 N6 |
| SMILES | [K+].[K+].[N]([Co]1N(c2c(cccc2C(C)C)C(C)C)C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C(C)(C)C)C(C)(C)C)#[N][Co]1N(c2c(cccc2C(C)C)C(C)C)C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C(C)(C)C)C(C)(C)C |
| 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 | 22.557 ± 0.004 Å |
| b | 21.451 ± 0.004 Å |
| c | 15.372 ± 0.003 Å |
| α | 90° |
| β | 100.242 ± 0.002° |
| γ | 90° |
| Cell volume | 7320 ± 2 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0832 |
| Residual factor for significantly intense reflections | 0.0454 |
| Weighted residual factors for significantly intense reflections | 0.097 |
| Weighted residual factors for all reflections included in the refinement | 0.1061 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| 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. |
4104663.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4104663.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4104663.cif |
| 29689 | 2011-11-04 | ../uploads/cif-deposit/cod/cif Adding structures of 4104663 via cif-deposit CGI script. |
4104663.cif |
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Users of the data should acknowledge the original authors of the
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