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Information card for entry 4107442
Preview
Coordinates | 4107442.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H32 B9 Cl3 D N P Rh S |
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Calculated formula | C26 H32 B9 Cl3 D N P Rh S |
SMILES | [Rh]123456([P](c7ccccc7)(c7ccccc7)c7ccccc7)([S]78[BH]9%104[BH]4%113[B]32([n]2ccccc2)[BH]2%126[BH]657[BH]589[BH]7%10%11[BH]432[BH]%12657)[CH2]=[CH2]1.C(Cl)(Cl)(Cl)[2H] |
Title of publication | Reversible Ethylene Dihydrogen Mediated 11-Vertex nido\ρightarrowcloso\ρightarrownido Conversion in a Metallathiaborane Cluster |
Authors of publication | Álvaro Álvarez; Ramón Macías; María José Fabra; Fernando J. Lahoz; Luis A. Oro |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 2148 - 2149 |
a | 13.0047 ± 0.0008 Å |
b | 19.9544 ± 0.0012 Å |
c | 24.4736 ± 0.0015 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6350.9 ± 0.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 9 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.065 |
Residual factor for significantly intense reflections | 0.0512 |
Weighted residual factors for significantly intense reflections | 0.1037 |
Weighted residual factors for all reflections included in the refinement | 0.1081 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.206 |
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/4107442.html
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