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Information card for entry 4070216
Preview
Coordinates | 4070216.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H38 Cl2 N4 P2 Ru |
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Calculated formula | C42 H38 Cl2 N4 P2 Ru |
SMILES | c1cc[n]([nH]1)[Ru]([P](c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)([n]1ccc[nH]1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)Cl |
Title of publication | Boron Functionalization of Bis(pyrazolyl)borate Ligands: Molecular Structures of [RuX(PPh3)2{(MeO)2B(pz)2}] (X = H, Cl; pz = pyrazol-1-yl) |
Authors of publication | Abernethy, Robyn J.; Hill, Anthony F.; Smith, Matthew K.; Willis, Anthony C. |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 21 |
Pages of publication | 6152 |
a | 9.0141 ± 0.0003 Å |
b | 9.6443 ± 0.0002 Å |
c | 11.9277 ± 0.0003 Å |
α | 113.115 ± 0.0015° |
β | 95.1954 ± 0.0014° |
γ | 100.404 ± 0.0016° |
Cell volume | 922.95 ± 0.05 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 | 0.0313 |
Residual factor for significantly intense reflections | 0.027 |
Weighted residual factors for all reflections | 0.0333 |
Weighted residual factors for significantly intense reflections | 0.0307 |
Weighted residual factors for all reflections included in the refinement | 0.0307 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
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/4070216.html
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Users of the data should acknowledge the original authors of the
structural data.