Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7216713
Preview
| Coordinates | 7216713.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Dinitro-(3,3-diamino-N-methyldipropylamine)nickel(II) |
|---|---|
| Formula | C7 H19 N5 Ni O4 |
| Calculated formula | C7 H19.3333 N5 Ni O4 |
| Title of publication | Thermal and photochemical control of nitro‒nitrito linkage isomerism in single-crystals of [Ni(medpt)(NO2)(η2-ONO)] |
| Authors of publication | Hatcher, Lauren E.; Bigos, Edward J.; Bryant, Mathew J.; MacCready, Emily M.; Robinson, Thomas P.; Saunders, Lucy K.; Thomas, Lynne H.; Beavers, Christine M.; Teat, Simon J.; Christensen, Jeppe; Raithby, Paul R. |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 35 |
| Pages of publication | 8263 |
| a | 7.202 ± 0.005 Å |
| b | 23.718 ± 0.005 Å |
| c | 11.025 ± 0.005 Å |
| α | 90° |
| β | 103.746 ± 0.005° |
| γ | 90° |
| Cell volume | 1829.3 ± 1.6 Å3 |
| Cell temperature | 250 ± 2 K |
| Ambient diffraction temperature | 250 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.0409 |
| Residual factor for significantly intense reflections | 0.0278 |
| Weighted residual factors for significantly intense reflections | 0.0609 |
| Weighted residual factors for all reflections included in the refinement | 0.0666 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180498 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/67. |
7216713.cif |
| 123388 | 2014-09-08 | cif/ Updating files of 7216709, 7216710, 7216711, 7216712, 7216713, 7216714, 7216715, 7216716, 7216717, 7216718, 7216719, 7216720 Original log message: Adding full bibliography for 7216709--7216720.cif. |
7216713.cif |
| 117976 | 2014-06-23 | cif/ Adding structures of 7216709, 7216710, 7216711, 7216712, 7216713, 7216714, 7216715, 7216716, 7216717, 7216718, 7216719, 7216720 via cif-deposit CGI script. |
7216713.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.