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Information card for entry 1551914
Preview
| Coordinates | 1551914.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | iPr2TpCuCNArMe2 |
|---|---|
| Formula | C19 H26.5 B0.5 Cl2 Cu0.5 N3.5 |
| Calculated formula | C19 H26.5 B0.5 Cl2 Cu0.5 N3.5 |
| Title of publication | A motif for reversible nitric oxide interactions in metalloenzymes |
| Authors of publication | Shiyu Zhang; Marie M. Melzer; S. Nermin Sen; Nihan Celebi-Olcum; Timothy H. Warren |
| Journal of publication | Nature Chemistry |
| Year of publication | 2016 |
| Journal volume | 8 |
| Pages of publication | 663 - 669 |
| a | 12.6639 ± 0.0004 Å |
| b | 15.4161 ± 0.0005 Å |
| c | 22.4366 ± 0.0008 Å |
| α | 90° |
| β | 92.779 ± 0.002° |
| γ | 90° |
| Cell volume | 4375.1 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0852 |
| Residual factor for significantly intense reflections | 0.0578 |
| Weighted residual factors for significantly intense reflections | 0.1479 |
| Weighted residual factors for all reflections included in the refinement | 0.1648 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216579 (current) | 2019-06-26 | cif/ Adding structures of 1551914 via cif-deposit CGI script. |
1551914.cif |
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