Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7036033
Preview
Coordinates | 7036033.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C68 H66 B2 N8 O3 P2 Ru |
---|---|
Calculated formula | C68 H66 B2 N8 O3 P2 Ru |
SMILES | [Ru]12([N]#N=C(c3ccccc3)c3ccc(cc3)C)([P](OC)(OC)OC)([P](c3ccccc3)(c3ccccc3)c3ccccc3)[n]3n([BH](n4[n]1ccc4)n1[n]2ccc1)ccc3.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1 |
Title of publication | Diazoalkane complexes of ruthenium with tris(pyrazolyl)borate and bis(pyrazolyl)acetate ligands. |
Authors of publication | Albertin, Gabriele; Antoniutti, Stefano; Bortoluzzi, Marco; Castro, Jesús; Marzaro, Lidia |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 35 |
Pages of publication | 15470 - 15480 |
a | 9.8284 ± 0.0005 Å |
b | 17.411 ± 0.0008 Å |
c | 19.4494 ± 0.0009 Å |
α | 89.2778 ± 0.0018° |
β | 77.1894 ± 0.0017° |
γ | 79.0992 ± 0.0018° |
Cell volume | 3185.3 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0627 |
Residual factor for significantly intense reflections | 0.0513 |
Weighted residual factors for significantly intense reflections | 0.1327 |
Weighted residual factors for all reflections included in the refinement | 0.1404 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/7036033.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.