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Information card for entry 2233875
Preview
Coordinates | 2233875.cif |
---|---|
Structure factors | 2233875.hkl |
Original IUCr paper | HTML |
Chemical name | (+)-Chlorido[(1,2,3,4-η;κ<i>P</i>^2'^)-2'-diphenylphosphanyl-2- diphenylphosphoryl-1,1'-binaphthyl]rhodium(I) methanol monosolvate |
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Formula | C45 H36 Cl O2 P2 Rh |
Calculated formula | C45 H36 Cl O2 P2 Rh |
SMILES | [Rh]1234(Cl)[P](c5c([C]64=[C]1(P(=O)(c1ccccc1)c1ccccc1)[CH]2=[CH]3c1ccccc61)c1ccccc1cc5)(c1ccccc1)c1ccccc1.OC |
Title of publication | (+)-Chlorido[(1,2,3,4-η;κ<i>P</i>^2'^)-2'-diphenylphosphanyl-2-diphenylphosphoryl-1,1'-binaphthyl]rhodium(I) methanol monosolvate |
Authors of publication | Meissner, Antje; Selle, Carmen; Drexler, Hans-Joachim; Heller, Detlef |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2012 |
Journal volume | 68 |
Journal issue | 3 |
Pages of publication | m259 |
a | 9.2108 ± 0.0018 Å |
b | 9.7453 ± 0.0019 Å |
c | 11.354 ± 0.002 Å |
α | 103.01 ± 0.03° |
β | 104.59 ± 0.03° |
γ | 105.09 ± 0.03° |
Cell volume | 905 ± 0.4 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 6 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0305 |
Residual factor for significantly intense reflections | 0.0266 |
Weighted residual factors for significantly intense reflections | 0.0428 |
Weighted residual factors for all reflections included in the refinement | 0.0432 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.955 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
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The link is: https://www.crystallography.net/2233875.html
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