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Information card for entry 7014776
Preview
Coordinates | 7014776.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42.5 H51 B Cl N6 P Ru |
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Calculated formula | C42.5 H51 B Cl N6 P Ru |
SMILES | [Ru]1234([P]([C@H]5C[CH]3=[CH]4CC5)(C3CCCCC3)C3CCCCC3)(Cl)[H][B](n3c4[n]1cccc4cc3)(n1c3[n]2cccc3cc1)n1c2ncccc2cc1.c1(ccccc1)C |
Title of publication | Strong agostic-type interactions in ruthenium benzylidene complexes containing 7-azaindole based scorpionate ligands. |
Authors of publication | Tsoureas, Nikolaos; Nunn, Joshua; Bevis, Thomas; Haddow, Mairi F.; Hamilton, Alex; Owen, Gareth R. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 4 |
Pages of publication | 951 - 958 |
a | 17.0169 ± 0.0004 Å |
b | 20.4376 ± 0.0005 Å |
c | 21.4837 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7471.7 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0696 |
Residual factor for significantly intense reflections | 0.0466 |
Weighted residual factors for significantly intense reflections | 0.0905 |
Weighted residual factors for all reflections included in the refinement | 0.1007 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
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/7014776.html
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