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Information card for entry 2234127
Preview
Coordinates | 2234127.cif |
---|---|
Structure factors | 2234127.hkl |
Original IUCr paper | HTML |
Chemical name | Dicarbonyl{3,3'-di-<i>tert</i>-butyl-5,5'-dimethoxy-2,2'-bis[(4,4,5,5- tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy-κ<i>P</i>]biphenyl}hydridorhodium(I) diethyl ether monosolvate |
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Formula | C80 H79 O11 P2 Rh |
Calculated formula | C80 H79 O11 P2 Rh |
SMILES | CCOCC.C(#[O])[RhH]1(C#[O])[P]2(OC(C(c3ccccc3)(c3ccccc3)O2)(c2ccccc2)c2ccccc2)Oc2c(cc(cc2c2c(c(cc(c2)OC)C(C)(C)C)O[P]21OC(C(c1ccccc1)(c1ccccc1)O2)(c1ccccc1)c1ccccc1)OC)C(C)(C)C |
Title of publication | Dicarbonyl{3,3'-di-<i>tert</i>-butyl-5,5'-dimethoxy-2,2'-bis[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy-κ<i>P</i>]biphenyl}hydridorhodium(I) diethyl ether monosolvate |
Authors of publication | Selent, Detlef; Spannenberg, Anke; Börner, Armin |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2012 |
Journal volume | 68 |
Journal issue | 4 |
Pages of publication | m488 |
a | 11.1489 ± 0.0002 Å |
b | 25.8458 ± 0.0004 Å |
c | 12.5941 ± 0.0003 Å |
α | 90° |
β | 110.263 ± 0.002° |
γ | 90° |
Cell volume | 3404.43 ± 0.12 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 5 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0326 |
Residual factor for significantly intense reflections | 0.0277 |
Weighted residual factors for significantly intense reflections | 0.0617 |
Weighted residual factors for all reflections included in the refinement | 0.0625 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.935 |
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/2234127.html
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