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Information card for entry 2236356
Preview
Coordinates | 2236356.cif |
---|---|
Structure factors | 2236356.hkl |
Original IUCr paper | HTML |
Chemical name | (Ammine)(carbonyl)[hydridotris(pyrazol-1-yl-κ<i>N</i>^2^)borato]\ (triphenylphosphine-κ<i>P</i>)ruthenium(II) chloride dichloromethane disolvate |
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Formula | C30 H32 B Cl5 N7 O P Ru |
Calculated formula | C30 H32 B Cl5 N7 O P Ru |
SMILES | C(#[O])[Ru]12([n]3cccn3[BH](n3ccc[n]13)n1ccc[n]21)([NH3])[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl.C(Cl)Cl.[Cl-] |
Title of publication | (Ammine)(carbonyl)[hydridotris(pyrazol-1-yl-κ<i>N</i>^2^)borato](triphenylphosphine-κ<i>P</i>)ruthenium(II) chloride dichloromethane disolvate |
Authors of publication | Hu, Ting-Chuan; Ye, Jun-Xlan; He, Sheng-Ting; Chiang, Guan-Ru; Lo, Yih-Hsing |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2012 |
Journal volume | 68 |
Journal issue | 11 |
Pages of publication | m1361 - m1362 |
a | 12.4813 ± 0.0004 Å |
b | 12.5337 ± 0.0004 Å |
c | 14.5389 ± 0.0005 Å |
α | 83.52 ± 0.001° |
β | 65.602 ± 0.001° |
γ | 61.757 ± 0.001° |
Cell volume | 1815.02 ± 0.11 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0536 |
Residual factor for significantly intense reflections | 0.045 |
Weighted residual factors for significantly intense reflections | 0.1128 |
Weighted residual factors for all reflections included in the refinement | 0.1185 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2236356.html
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Users of the data should acknowledge the original authors of the
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