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Information card for entry 4065441
Preview
Coordinates | 4065441.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | bis(dimethyl-(Z)-2-ferrocenyl-1-butenedioate)mercury |
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Formula | C32 H30 Fe2 Hg O8 |
Calculated formula | C32 H30 Fe2 Hg O8 |
SMILES | [cH]12[cH]3[cH]4[cH]5[Fe]6789134([cH]1[cH]6[cH]7[cH]8[cH]91)[c]25C(=C([Hg]/C(=C(C(=O)OC)\[c]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[cH]6[cH]7[cH]82)C(=O)OC)\C(=O)OC)\C(=O)OC |
Title of publication | Formation of an Unexpected Organometallic Mercury Compound in a Palladium-Catalyzed Reaction |
Authors of publication | Solntsev, Pavlo V.; Goetsch, Wil R.; Nemykin, Victor N. |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 24 |
Pages of publication | 6636 |
a | 8.902 ± 0.005 Å |
b | 12.776 ± 0.005 Å |
c | 13.799 ± 0.005 Å |
α | 90° |
β | 110.321 ± 0.005° |
γ | 90° |
Cell volume | 1471.7 ± 1.1 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.024 |
Residual factor for significantly intense reflections | 0.0224 |
Weighted residual factors for significantly intense reflections | 0.0549 |
Weighted residual factors for all reflections included in the refinement | 0.0563 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4065441.html
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Users of the data should acknowledge the original authors of the
structural data.