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Information card for entry 1551412
Preview
| Coordinates | 1551412.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C16 H36 N8 Ni O13 |
|---|---|
| Calculated formula | C16 H36 N8 Ni O13 |
| Title of publication | Radiation damage in small-molecule crystallography: fact not fiction |
| Authors of publication | Christensen, Jeppe; Horton, Peter N.; Bury, Charles S.; Dickerson, Joshua L.; Taberman, Helena; Garman, Elspeth F.; Coles, Simon J. |
| Journal of publication | IUCrJ |
| Year of publication | 2019 |
| Journal volume | 6 |
| Journal issue | 4 |
| a | 8.949 ± 0.0005 Å |
| b | 15.4457 ± 0.0007 Å |
| c | 19.2674 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2663.2 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1363 |
| Residual factor for significantly intense reflections | 0.0709 |
| Weighted residual factors for significantly intense reflections | 0.1173 |
| Weighted residual factors for all reflections included in the refinement | 0.1383 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Diffraction radiation X-ray symbol | K-L~3~ |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 215950 (current) | 2019-06-14 | cif/ Adding structures of 1551412 via cif-deposit CGI script. |
1551412.cif |
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Users of the data should acknowledge the original authors of the
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