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Information card for entry 7704427
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Coordinates | 7704427.cif |
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Original paper (by DOI) | HTML |
Formula | C29 H21 N5 O Pt S |
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Calculated formula | C29 H21 N5 O Pt S |
Title of publication | Intramolecular C(sp<sup>2</sup>)-C (sp<sup>2</sup>) bond formation between phenanthroline and β-diketone thiosemicarbazones in Pt<sup>II</sup> complexes: crystal structures and computational studies. |
Authors of publication | Gonçalves, Ana C R; Rettondin, Andressa R.; Oliveira, Carolina G.; Patrocinio, Antonio O. T.; Machado, Antonio E. H.; Deflon, Victor M.; Abram, Ulrich; Maia, Pedro I. S. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2020 |
Journal volume | 49 |
Journal issue | 28 |
Pages of publication | 9564 - 9567 |
a | 12.738 ± 0.0004 Å |
b | 14.3284 ± 0.0005 Å |
c | 14.5859 ± 0.0005 Å |
α | 69.471 ± 0.002° |
β | 85.039 ± 0.002° |
γ | 77.604 ± 0.002° |
Cell volume | 2434.78 ± 0.15 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.0489 |
Residual factor for significantly intense reflections | 0.0296 |
Weighted residual factors for significantly intense reflections | 0.0553 |
Weighted residual factors for all reflections included in the refinement | 0.0614 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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