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Information card for entry 7043561
Preview
Coordinates | 7043561.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C35 H34 Cl2 Fe P2 S |
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Calculated formula | C35 H34 Cl2 Fe P2 S |
SMILES | Cl[Fe]1([P](c2ccccc2)(CC(CSc2ccccc2)(C[P]1(c1ccccc1)c1ccccc1)C)c1ccccc1)Cl |
Title of publication | Spectroscopic and Reactivity Differences in Metal Complexes Derived from Sulfur Containing Triphos Homologs |
Authors of publication | Petuker, Anette; Gerschel, Philipp; Piontek, Stefan; Ritterskamp, Nadine; Wittkamp, Florian; Iffland, Linda; Miller, Reece Graham; van Gastel, Maurice; Apfel, Ulf-Peter |
Journal of publication | Dalton Trans. |
Year of publication | 2017 |
a | 18.571 ± 0.014 Å |
b | 17.955 ± 0.014 Å |
c | 9.942 ± 0.011 Å |
α | 90° |
β | 90.48 ± 0.02° |
γ | 90° |
Cell volume | 3315 ± 5 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 K |
Number of distinct elements | 6 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0555 |
Residual factor for significantly intense reflections | 0.0483 |
Weighted residual factors for significantly intense reflections | 0.1233 |
Weighted residual factors for all reflections included in the refinement | 0.1414 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7043561.html
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