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Information card for entry 4301665
Preview
Coordinates | 4301665.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37 H42 B F3 I N9 O3 P2 Ru S |
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Calculated formula | C37 H42 B F3 I N9 O3 P2 Ru S |
SMILES | C1[N+]2(CN3C[P]1(CN(C3)C2)[Ru]12(I)([n]3cccn3[BH](n3ccc[n]13)n1ccc[n]21)[P](c1ccccc1)(c1ccccc1)c1ccccc1)CC=C.C(F)(F)(F)S(=O)(=O)[O-] |
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 | 10.2618 ± 0.0003 Å |
b | 12.3332 ± 0.0004 Å |
c | 16.6379 ± 0.0004 Å |
α | 78.219 ± 0.002° |
β | 89.921 ± 0.002° |
γ | 89.491 ± 0.003° |
Cell volume | 2061.27 ± 0.1 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 | 0.0683 |
Residual factor for significantly intense reflections | 0.0591 |
Weighted residual factors for significantly intense reflections | 0.1777 |
Weighted residual factors for all reflections included in the refinement | 0.1874 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4301665.html
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