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Information card for entry 4301666
Preview
Coordinates | 4301666.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H54 B F3 I N9 O6 P2 Ru S |
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Calculated formula | C40 H54 B F3 I N9 O6 P2 Ru S |
SMILES | C1[N+]2(CN3C[P]1(CN(C3CCOC)C2)[Ru]12([n]3cccn3[BH](n3ccc[n]13)n1ccc[n]21)([P](c1ccccc1)(c1ccccc1)c1ccccc1)I)C.C(F)(F)(F)S(=O)(=O)[O-].CO.CO |
Title of publication | Facile Modification of 1,3,5-Triaza-7-phosphatricyclo[3.3.1.13,7]decane Phosphanes Coordinated to Ruthenium(II) |
Authors of publication | Almudena García-Fernández; Josefina Díez; M. Pilar Gamasa; Elena Lastra |
Journal of publication | Inorganic Chemistry |
Year of publication | 2009 |
Journal volume | 48 |
Pages of publication | 2471 - 2481 |
a | 10.3449 ± 0.0003 Å |
b | 15.3597 ± 0.0004 Å |
c | 16.3835 ± 0.0004 Å |
α | 77.787 ± 0.002° |
β | 72.564 ± 0.002° |
γ | 72.63 ± 0.002° |
Cell volume | 2348.97 ± 0.11 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 10 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0775 |
Residual factor for significantly intense reflections | 0.0643 |
Weighted residual factors for significantly intense reflections | 0.1909 |
Weighted residual factors for all reflections included in the refinement | 0.2172 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.129 |
Diffraction radiation wavelength | 1.5418 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/4301666.html
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