Test Crystallography Open Database
- TESTCOD Home
- Accessing TESTCOD Data
- Add Your Data
- Documentation
Information card for entry 7700017
Preview
| Coordinates | 7700017.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [NbBr4(DMPE)2]] |
|---|---|
| Formula | C12 H32 Br4 Nb P4 |
| Calculated formula | C12 H32 Br4 Nb P4 |
| Title of publication | Niobium tetrahalide complexes with neutral diphosphine ligands |
| Authors of publication | Benjamin, Sophie L.; Chang, Yao-Pang; Hector, Andrew L.; Jura, Marek; Levason, William; Reid, Gillian; Stenning, Gavin |
| Journal of publication | Dalton Transactions |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 19 |
| Pages of publication | 8192 - 8200 |
| a | 13.3974 ± 0.0009 Å |
| b | 12.4285 ± 0.0009 Å |
| c | 14.1808 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2361.2 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.025 |
| Residual factor for significantly intense reflections | 0.0221 |
| Weighted residual factors for significantly intense reflections | 0.0424 |
| Weighted residual factors for all reflections included in the refinement | 0.0435 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
Please log in to view the version history.
All data in the TESTCOD 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.