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Information card for entry 7016178
Preview
Coordinates | 7016178.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 1512 (Cu(CF3SO3)(SPN-iPr)(PPh3)) at 100K |
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Formula | C30 H34 Cu F3 N2 O3 P2 S2 |
Calculated formula | C30 H34 Cu F3 N2 O3 P2 S2 |
SMILES | [Cu]1([S]=P(Nc2[n]1cccc2)(C(C)C)C(C)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)OS(=O)(=O)C(F)(F)F |
Title of publication | Tri- and tetracoordinate copper(i) complexes bearing bidentate soft/hard SN and SeN ligands based on 2-aminopyridine. |
Authors of publication | Oztopcu, Ozgür; Mereiter, Kurt; Puchberger, Michael; Kirchner, Karl A. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 26 |
Pages of publication | 7008 - 7021 |
a | 9.2999 ± 0.0001 Å |
b | 9.8907 ± 0.0001 Å |
c | 19.5996 ± 0.0002 Å |
α | 96.154 ± 0.001° |
β | 100.62 ± 0.001° |
γ | 112.4 ± 0.001° |
Cell volume | 1606.71 ± 0.03 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.039 |
Residual factor for significantly intense reflections | 0.0343 |
Weighted residual factors for significantly intense reflections | 0.0868 |
Weighted residual factors for all reflections included in the refinement | 0.0897 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7016178.html
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