Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7043023
Preview
Coordinates | 7043023.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26.5 H50 B Br2 Cl P2 |
---|---|
Calculated formula | C26.5 H50 B Br2 Cl P2 |
SMILES | [BH]1(Br)[P](CC[P+]1(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1.[Br-].ClCCl |
Title of publication | Synthetic and Structural Studies of Phosphine Coordinated Boronium Salts |
Authors of publication | Hill, Anthony; Ward, Jas S. |
Journal of publication | Dalton Trans. |
Year of publication | 2017 |
a | 11.8318 ± 0.0003 Å |
b | 13.6868 ± 0.0003 Å |
c | 20.5375 ± 0.0004 Å |
α | 102.082 ± 0.0013° |
β | 99.8011 ± 0.001° |
γ | 92.5268 ± 0.0011° |
Cell volume | 3193.71 ± 0.13 Å3 |
Cell temperature | 200 K |
Ambient diffraction temperature | 200 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0706 |
Residual factor for significantly intense reflections | 0.0473 |
Weighted residual factors for all reflections | 0.132 |
Weighted residual factors for significantly intense reflections | 0.1182 |
Weighted residual factors for all reflections included in the refinement | 0.132 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9776 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
203412 (current) | 2017-11-21 | cif/7 Fixing Z values and formulae accordingly. |
7043023.cif |
196778 | 2017-05-19 | cif/ Adding structures of 7043009, 7043010, 7043011, 7043012, 7043013, 7043014, 7043015, 7043016, 7043017, 7043018, 7043019, 7043020, 7043021, 7043022, 7043023, 7043024, 7043025, 7043026, 7043027 via cif-deposit CGI script. |
7043023.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.