Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1518001
Preview
| Coordinates | 1518001.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Nickel Dimethylglyoxime |
|---|---|
| Chemical name | Nickel Dimethylglyoxime |
| Formula | C8 H14 N4 Ni O4 |
| Calculated formula | C8 H14 N4 Ni O4 |
| Title of publication | Structural Properties of Nickel Dimethylglyoxime at High Pressure: Single-Crystal X-ray Diffraction and DFT Studies |
| Authors of publication | Bruce-Smith, Ian F.; Zakharov, Boris A.; Stare, Jernej; Boldyreva, Elena V.; Pulham, Colin R. |
| Journal of publication | The Journal of Physical Chemistry C |
| Year of publication | 2014 |
| Journal volume | 118 |
| Journal issue | 42 |
| Pages of publication | 24705 |
| a | 16.1082 ± 0.0014 Å |
| b | 9.9613 ± 0.0012 Å |
| c | 5.9848 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 960.31 ± 0.15 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Ambient diffracton pressure | 2800000 kPa |
| Number of distinct elements | 5 |
| Space group number | 72 |
| Hermann-Mauguin space group symbol | I b a m |
| Hall space group symbol | -I 2 2c |
| Residual factor for all reflections | 0.067 |
| Residual factor for significantly intense reflections | 0.0426 |
| Weighted residual factors for significantly intense reflections | 0.0801 |
| Weighted residual factors for all reflections included in the refinement | 0.0869 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.114 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1518001.cif |
| 127174 | 2014-11-12 | cif/ Updating files of 1517996, 1517997, 1517998, 1517999, 1518000, 1518001, 1518002, 1518003, 1518004, 1518005 Original log message: Adding full bibliography for 1517996--1518005.cif. |
1518001.cif |
| 125407 | 2014-10-15 | cif/ Adding structures of 1517996, 1517997, 1517998, 1517999, 1518000, 1518001, 1518002, 1518003, 1518004, 1518005 via cif-deposit CGI script. |
1518001.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.