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Information card for entry 4077912
Preview
Coordinates | 4077912.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C47.5 H40 N6 O1.5 Pt2 |
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Calculated formula | C47.5 H40 N6 O1.5 Pt2 |
Title of publication | Synthesis and Characterization of the Double Salts [Pt(bzq)(CNR)2][Pt(bzq)(CN)2] with Significant Pt···Pt and π···π Interactions. Mechanistic Insights into the Ligand Exchange Process from Joint Experimental and DFT Study |
Authors of publication | Forniés, Juan; Fuertes, Sara; Larraz, Carmen; Martín, Antonio; Sicilia, Violeta; Tsipis, Athanassios C. |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 7 |
Pages of publication | 2729 |
a | 8.867 ± 0.0001 Å |
b | 13.3363 ± 0.0003 Å |
c | 34.4243 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4070.78 ± 0.12 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0419 |
Residual factor for significantly intense reflections | 0.0333 |
Weighted residual factors for significantly intense reflections | 0.0633 |
Weighted residual factors for all reflections included in the refinement | 0.0647 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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