Information card for entry 4110669

Structure parameters

• Formula: C90 H64 Br2 Cl6 N2 P2 Pt2
• Calculated formula: C90 H64 Br2 Cl6 N2 P2 Pt2
• Title of publication: Structures, Photoluminescence, and Reversible Vapoluminescence Properties of Neutral Platinum(II) Complexes Containing Extended π-Conjugated Cyclometalated Ligands
• Authors of publication: Steven C. F. Kui; Stephen Sin-Yin Chui; Chi-Ming Che; Nianyong Zhu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 8297 - 8309
• a: 13.915 ± 0.003 Å
• b: 31.731 ± 0.006 Å
• c: 18.321 ± 0.004 Å
• α: 90°
• β: 107.87 ± 0.03°
• γ: 90°
• Cell volume: 7699 ± 3 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No