Information card for entry 7036574

Structure parameters

• Formula: C23 H18 Cl N2 O0.5 Pt
• Calculated formula: C23 H18 Cl N2 O0.5 Pt
• SMILES: Cl[Pt]12[n]3c(c4[n]1cccc4)cccc3C(c1c2cccc1)c1ccccc1.O
• Title of publication: Chiral cyclometalation of 6-(1-phenylbenzyl)-2,2'-bipyridine.
• Authors of publication: Stoccoro, Sergio; Maidich, Luca; Ruiu, Tiziana; Cinellu, Maria Agostina; Clarkson, Guy James; Zucca, Antonio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 41
• Pages of publication: 18001 - 18011
• a: 15.528 ± 0.0002 Å
• b: 13.7243 ± 0.0001 Å
• c: 17.6847 ± 0.0002 Å
• α: 90°
• β: 100.521 ± 0.001°
• γ: 90°
• Cell volume: 3705.44 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0631
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No