Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7101433
Preview
Coordinates | 7101433.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C82 H95 B2 N17 Se6 Zn |
---|---|
Calculated formula | C72 H80 B2 N12 Se6 Zn |
SMILES | [Zn]12([Se]=C3N([BH](N4C(N(C=C4)c4c(cc(cc4C)C)C)=[Se]1)N1C(N(C=C1)c1c(cc(cc1C)C)C)=[Se])C=CN3c1c(cc(cc1C)C)C)[Se]=C1N([BH](N3C(N(C=C3)c3c(cc(cc3C)C)C)=[Se]2)N2C(N(C=C2)c2c(cc(cc2C)C)C)=[Se])C=CN1c1c(cc(cc1C)C)C |
Title of publication | Synthesis and Structural Characterization of Tris(2-seleno-1-mesitylimidazolyl)hydroborato Complexes: A New Type of Strongly Electron Donating Tripodal Selenium Ligand |
Authors of publication | G. Parkin; Victoria K. Landry; Luciano Marchio; Jonathan G. Melnick; Mao Minoura; Keliang Pang |
Journal of publication | Chemical Communications |
Year of publication | 2006 |
Journal issue | 38 |
a | 20.64 ± 0.003 Å |
b | 18.829 ± 0.003 Å |
c | 24.172 ± 0.004 Å |
α | 90° |
β | 92.623 ± 0.002° |
γ | 90° |
Cell volume | 9384 ± 2 Å3 |
Cell temperature | 243 ± 2 K |
Ambient diffraction temperature | 243 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1724 |
Residual factor for significantly intense reflections | 0.052 |
Weighted residual factors for significantly intense reflections | 0.0836 |
Weighted residual factors for all reflections included in the refinement | 0.0898 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7101433.html
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.