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Information card for entry 7036386
Preview
Coordinates | 7036386.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H30 Br Cl2 F N2 Pt |
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Calculated formula | C26 H30 Br Cl2 F N2 Pt |
SMILES | [Pt]1(Br)([N](=Cc2c(F)cccc2c2ccc(cc2)C)CC[N]1(C)C)c1ccc(cc1)C.ClCCl |
Title of publication | A combined kinetico-mechanistic and computational study on the competitive formation of seven- versus five-membered platinacycles; the relevance of spectator halide ligands. |
Authors of publication | Aullón, Gabriel; Crespo, Margarita; Font-Bardia, Mercè; Jover, Jesús; Martínez, Manuel; Pike, Jack |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 41 |
Pages of publication | 17968 - 17979 |
a | 27.163 ± 0.002 Å |
b | 15.4717 ± 0.0011 Å |
c | 13.4316 ± 0.0011 Å |
α | 90° |
β | 109.882 ± 0.003° |
γ | 90° |
Cell volume | 5308.3 ± 0.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0738 |
Residual factor for significantly intense reflections | 0.0569 |
Weighted residual factors for significantly intense reflections | 0.105 |
Weighted residual factors for all reflections included in the refinement | 0.112 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
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/7036386.html
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