Information card for entry 7715104

Structure parameters

• Formula: C58 H40 N8 Pt2
• Calculated formula: C58 N8 Pt2
• SMILES: [Pt]123([Pt]4([N](=CN1c1ccccc1)c1ccccc1)([n]1ccnc5c1c1c4cccc1c1ccccc51)[N](c1ccccc1)=CN2c1ccccc1)[n]1ccnc2c1c1c3cccc1c1ccccc21
• Title of publication: A cyclometalated Pt(II)-Pt(II) clamshell dimer with a triplet emission at 887 nm.
• Authors of publication: Yuan, Lequn; Yao, Haibo; Shen, Yunjun; Zhang, Yuzhen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 11
• Pages of publication: 5125 - 5132
• a: 15.2393 ± 0.0015 Å
• b: 17.0218 ± 0.0015 Å
• c: 21.676 ± 0.002 Å
• α: 87.771 ± 0.005°
• β: 85.211 ± 0.006°
• γ: 72.665 ± 0.005°
• Cell volume: 5348.1 ± 0.9 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1624
• Residual factor for significantly intense reflections: 0.1357
• Weighted residual factors for significantly intense reflections: 0.3196
• Weighted residual factors for all reflections included in the refinement: 0.3335
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No