Information card for entry 7715103

Structure parameters

• Formula: C45 H38 Cl2 N6 O Pt2
• Calculated formula: C45 H38 Cl2 N6 O Pt2
• SMILES: [Pt]1(c2cccc3c4cccc5[Pt](Cl)([n]6c(c45)c([n]1cc6)c23)[N](c1ccccc1)=CNc1ccccc1)(Cl)[N](c1ccccc1)=CNc1ccccc1.O=C(C)C
• 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: 9.8009 ± 0.0002 Å
• b: 14.1903 ± 0.0003 Å
• c: 16.5817 ± 0.0004 Å
• α: 83.352 ± 0.001°
• β: 84.872 ± 0.002°
• γ: 73.306 ± 0.001°
• Cell volume: 2190.27 ± 0.08 ų
• Cell temperature: 213 K
• Ambient diffraction temperature: 213 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No