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Information card for entry 4079988
Preview
Coordinates | 4079988.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C52 H50 Cl6 Fe2 P2 Pd |
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Calculated formula | C52 H50 Cl6 Fe2 P2 Pd |
SMILES | [Pd](Cl)(Cl)([P]([C@H]1[c]23[Fe]456789%10([cH]2[cH]4[cH]5[cH]36)[c]2([cH]7[cH]8[cH]9[cH]%102)CC1)(c1ccccc1)c1ccccc1)[P]([C@H]1[c]23[Fe]456789%10([cH]2[cH]4[cH]5[cH]36)[c]2([cH]7[cH]8[cH]9[cH]%102)CC1)(c1ccccc1)c1ccccc1.C(Cl)Cl.C(Cl)Cl |
Title of publication | Synthesis, Molecular Structure, and Catalytic Evaluation of Centrostereogenic Ferrocenophane Phosphines |
Authors of publication | Štěpnička, Petr; Škoch, Karel; Císařová, Ivana |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 2 |
Pages of publication | 623 |
a | 14.8971 ± 0.0004 Å |
b | 10.5691 ± 0.0003 Å |
c | 15.6025 ± 0.0005 Å |
α | 90° |
β | 99.324 ± 0.001° |
γ | 90° |
Cell volume | 2424.14 ± 0.12 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 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 | 0.0193 |
Residual factor for significantly intense reflections | 0.018 |
Weighted residual factors for significantly intense reflections | 0.0396 |
Weighted residual factors for all reflections included in the refinement | 0.0401 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
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/4079988.html
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Users of the data should acknowledge the original authors of the
structural data.