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Information card for entry 7017317
Preview
Coordinates | 7017317.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C22 H20 Cu F6 N4 P |
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Calculated formula | C22 H20 Cu F6 N4 P |
SMILES | [Cu]12([n]3c(C)cccc3c3[n]1cccc3)[n]1c(C)cccc1c1[n]2cccc1.[P](F)(F)(F)(F)(F)[F-] |
Title of publication | The intramolecular aryl embrace: from light emission to light absorption. |
Authors of publication | Bozic-Weber, Biljana; Constable, Edwin C.; Housecroft, Catherine E.; Kopecky, Peter; Neuburger, Markus; Zampese, Jennifer A. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 46 |
Pages of publication | 12584 - 12594 |
a | 7.7042 ± 0.0008 Å |
b | 10.2596 ± 0.0011 Å |
c | 15.3283 ± 0.0014 Å |
α | 107.978 ± 0.008° |
β | 97.393 ± 0.008° |
γ | 100.067 ± 0.008° |
Cell volume | 1112.9 ± 0.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0428 |
Residual factor for significantly intense reflections | 0.0414 |
Weighted residual factors for significantly intense reflections | 0.1117 |
Weighted residual factors for all reflections included in the refinement | 0.113 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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