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Information card for entry 7016874
Preview
Coordinates | 7016874.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C68.5 H57 Cl4 Fe3 O8 P4 |
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Calculated formula | C68.5 H57 Cl4 Fe3 O8 P4 |
SMILES | [Fe]12(Cl)(Cl)([O]=P([c]34[Fe]56789%10%11([cH]3[cH]5[cH]6[cH]47)[c]3(P(=[O]1)(c1ccccc1)c1ccccc1)[cH]8[cH]9[cH]%10[cH]%113)(c1ccccc1)c1ccccc1)[O]=P([c]13[Fe]456789%10([cH]1[cH]4[cH]5[cH]36)[c]1(P(=[O]2)(c2ccccc2)c2ccccc2)[cH]7[cH]8[cH]9[cH]%101)(c1ccccc1)c1ccccc1.Cl(=O)(=O)(=O)[O-].ClCCl |
Title of publication | Complexation of 1,1'-bis(diphenylphosphino)ferrocene dioxide (dppfO(2)) with 3d metals and revisit of its coordination to Pd(ii). |
Authors of publication | Zhang, Wenhua; Hor, T. S. Andy |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 40 |
Pages of publication | 10725 - 10730 |
a | 18.3426 ± 0.0011 Å |
b | 19.6446 ± 0.0012 Å |
c | 20.0689 ± 0.0012 Å |
α | 74.924 ± 0.001° |
β | 87.521 ± 0.001° |
γ | 65.006 ± 0.001° |
Cell volume | 6310.3 ± 0.7 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0991 |
Residual factor for significantly intense reflections | 0.0702 |
Weighted residual factors for significantly intense reflections | 0.1615 |
Weighted residual factors for all reflections included in the refinement | 0.1771 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
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/7016874.html
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structural data.