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Information card for entry 4080683
Preview
Coordinates | 4080683.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 6 in manuscript |
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Formula | C36.5 H48.5 Au Cl4.5 N2 O3 |
Calculated formula | C36.5 H48.5 Au Cl4.5 N2 O3 |
SMILES | [Au](=C1N(CCN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)Oc1cc(OC)cc(OC)c1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl |
Title of publication | Gold Phenolate Complexes: Synthesis, Structure, and Reactivity |
Authors of publication | Ibrahim, Nada; Vilhelmsen, Mie Højer; Pernpointner, Markus; Rominger, Frank; Hashmi, A. Stephen K. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 9 |
Pages of publication | 2576 |
a | 22.8993 ± 0.0019 Å |
b | 12.6652 ± 0.001 Å |
c | 28.032 ± 0.002 Å |
α | 90° |
β | 93.814 ± 0.002° |
γ | 90° |
Cell volume | 8112 ± 1.1 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 6 |
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 | 0.0489 |
Residual factor for significantly intense reflections | 0.0361 |
Weighted residual factors for significantly intense reflections | 0.0926 |
Weighted residual factors for all reflections included in the refinement | 0.1003 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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