Information card for entry 4084679

Structure parameters

• Formula: C47 H44 N4 O3 P2 Pt2
• Calculated formula: C47 H44 N4 O3 P2 Pt2
• SMILES: C[Pt]1(c2cccn(c2c2cccc[n]12)=O)[P](C[P](c1ccccc1)(c1ccccc1)[Pt]1(C)c2cccn(c2c2cccc[n]12)=O)(c1ccccc1)c1ccccc1.O
• Title of publication: Carbon‒Hydrogen versus Nitrogen‒Oxygen Bond Activation in Reactions of N-Oxide Derivatives of 2,2′-Bipyridine and 1,10-Phenanthroline with a Dimethylplatinum(II) Complex
• Authors of publication: Moustafa, Mohamed E.; Boyle, Paul D.; Puddephatt, Richard J.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 19
• Pages of publication: 5402
• a: 9.491 ± 0.005 Å
• b: 13.395 ± 0.005 Å
• c: 18.933 ± 0.008 Å
• α: 90°
• β: 90.72 ± 0.014°
• γ: 90°
• Cell volume: 2406.8 ± 1.9 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No