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Information card for entry 4326110
Preview
Coordinates | 4326110.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Tris{η^3^-μ-1,3-bis[(3,4-dimethoxy-2-pyridyl)methyl]imidazol-2- ylidene}tricopper(I) tetrafluoroborate propionitrile trisolvate |
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Chemical name | Triangulo-tris{η^3^-μ~2~-1,3-bis[(3,4-dimethoxy-2-pyridyl-κN)methyl]- 2<i>H</i>-imidazol-2-ylidene-κC}tricopper(I) 3(Cu—Cu) tetrafluoroborate propanenitrile trisolvate |
Formula | C66 H81 B3 Cu3 F12 N15 O12 |
Calculated formula | C66 H81 B3 Cu3 F12 N15 O12 |
Title of publication | Modulation of Metal-Metal Separations in a Series of Ag(I) and Intensely Blue Photoluminescent Cu(I) NHC-Bridged Triangular Clusters |
Authors of publication | Vincent J. Catalano; Lyndsay B. Munro; Christoph E. Strasser; Ahmad F. Samin |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 8465 - 8476 |
a | 12.026 ± 0.0001 Å |
b | 26.5274 ± 0.0003 Å |
c | 24.3308 ± 0.0002 Å |
α | 90° |
β | 99.161 ± 0.001° |
γ | 90° |
Cell volume | 7662.97 ± 0.13 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0827 |
Residual factor for significantly intense reflections | 0.0548 |
Weighted residual factors for significantly intense reflections | 0.1495 |
Weighted residual factors for all reflections included in the refinement | 0.1712 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4326110.html
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Users of the data should acknowledge the original authors of the
structural data.