Information card for entry 4078676

Structure parameters

• Formula: C18 H17 Cl N2 Pt
• Calculated formula: C18 H17 Cl N2 Pt
• SMILES: [Pt]12(c3c(C=[N]1C)cc(cc3C=[N]2C)/C=C/c1ccccc1)Cl
• Title of publication: Syntheses, Structures, and Electronic and Optical Properties of Platinum(II) Complexes of 1,3-Bis(imino)benzene-Derived Pincer Ligands
• Authors of publication: Blackburn, Octavia A.; Coe, Benjamin J.; Helliwell, Madeleine; Raftery, James
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 15
• Pages of publication: 5307
• a: 10.0609 ± 0.0013 Å
• b: 10.0609 ± 0.0013 Å
• c: 31.897 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3228.7 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.041
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.0661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No