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Information card for entry 4078538
Preview
Coordinates | 4078538.cif |
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Original paper (by DOI) | HTML |
Formula | C33 H28 Br Cl N P Pt |
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Calculated formula | C33 H28 Br Cl N P Pt |
SMILES | [Pt]1(Br)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[N](=Cc2c(C1)cccc2)Cc1ccc(Cl)cc1 |
Title of publication | Reductive Elimination from Cyclometalated Platinum(IV) Complexes To Form Csp2‒Csp3Bonds and Subsequent Competition between Csp2‒H and Csp3‒H Bond Activation |
Authors of publication | Crespo, Margarita; Anderson, Craig M.; Kfoury, Nicole; Font-Bardia, Mercè; Calvet, Teresa |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 12 |
Pages of publication | 4401 |
a | 10.391 ± 0.004 Å |
b | 11.128 ± 0.003 Å |
c | 13.005 ± 0.004 Å |
α | 78.48 ± 0.02° |
β | 76.48 ± 0.02° |
γ | 79.07 ± 0.02° |
Cell volume | 1416.4 ± 0.8 Å3 |
Cell temperature | 105 ± 2 K |
Ambient diffraction temperature | 105 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0323 |
Residual factor for significantly intense reflections | 0.0315 |
Weighted residual factors for significantly intense reflections | 0.0854 |
Weighted residual factors for all reflections included in the refinement | 0.086 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.106 |
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/4078538.html
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