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Information card for entry 4304876
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Coordinates | 4304876.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [Au{C(NHCH3)2}2]PF6 |
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Formula | C6 H16 Au F6 N4 P |
Calculated formula | C6 H16 Au F6 N4 P |
SMILES | CNC(NC)=[Au]=C(NC)NC.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | Blue or Green Glowing Crystals of the Cation [Au{C(NHMe)2}2]+. Structural Effects of Anions, Hydrogen Bonding, and Solvate Molecules on the Luminescence of a Two-Coordinate Gold(I) Carbene Complex |
Authors of publication | Daniel Rios; David M. Pham; James C. Fettinger; Marilyn M. Olmstead; Alan L. Balch |
Journal of publication | Inorganic Chemistry |
Year of publication | 2008 |
Journal volume | 47 |
Pages of publication | 3442 - 3451 |
a | 19.8652 ± 0.0015 Å |
b | 6.7447 ± 0.0005 Å |
c | 10.1085 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1354.39 ± 0.18 Å3 |
Cell temperature | 90 K |
Ambient diffraction temperature | 90 K |
Number of distinct elements | 6 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.04 |
Residual factor for significantly intense reflections | 0.032 |
Weighted residual factors for significantly intense reflections | 0.0715 |
Weighted residual factors for all reflections included in the refinement | 0.0754 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.196 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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