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Information card for entry 4082968
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Coordinates | 4082968.cif |
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Original paper (by DOI) | HTML |
Common name | 1695 afzi666 (R,S~Fc~,S~Fc~)-2.(BH3)2.CH2Cl2 |
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Chemical name | (S~Fc~)-2-((R)-1-Diphenylphosphinoethyl)-(S~Fc~)-2''-diphenylphosphino- 1,1''-biferrocene P,P'' bis-borane dichloromethane solvate, (R,S~Fc~,S~Fc~)-2.(BH3)2.CH2Cl2 |
Formula | C47 H48 B2 Cl2 Fe2 P2 |
Calculated formula | C46 H46 B2 Fe2 P2 |
SMILES | [Fe]12345678([c]9([c]1([cH]2[cH]3[cH]49)[C@H]([P]([BH3])(c1ccccc1)c1ccccc1)C)[c]12[c]3([Fe]49%10%11%12%131([cH]3[cH]4[cH]29)[cH]1[cH]%10[cH]%11[cH]%12[cH]%131)[P]([BH3])(c1ccccc1)c1ccccc1)[cH]1[cH]5[cH]6[cH]7[cH]81 |
Title of publication | Walphos versus Biferrocene-Based Walphos Analogues in the Asymmetric Hydrogenation of Alkenes and Ketones. |
Authors of publication | Zirakzadeh, Afrooz; Groß, Manuela A; Wang, Yaping; Mereiter, Kurt; Weissensteiner, Walter |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 8 |
Pages of publication | 1945 - 1952 |
a | 11.3173 ± 0.0003 Å |
b | 9.5521 ± 0.0003 Å |
c | 20.2125 ± 0.0005 Å |
α | 90° |
β | 93.674 ± 0.002° |
γ | 90° |
Cell volume | 2180.56 ± 0.1 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0342 |
Residual factor for significantly intense reflections | 0.0289 |
Weighted residual factors for significantly intense reflections | 0.0659 |
Weighted residual factors for all reflections included in the refinement | 0.0679 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
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/4082968.html
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