Information card for entry 4110668

Structure parameters

• Formula: C89 H62 Cl6 N2 P2 Pt2
• Calculated formula: C89 H62 Cl6 N2 P2 Pt2
• SMILES: [Pt]12(c3c(c4[n]1c(cc(c4)c1ccccc1)c1c2cc2c(c1)cccc2)cc1c(c3)cccc1)[P](C[P]([Pt]12c3c(c4[n]1c(c1c2cc2c(c1)cccc2)cc(c4)c1ccccc1)cc1c(c3)cccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• 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: 17.3 ± 0.004 Å
• b: 18.041 ± 0.004 Å
• c: 46.692 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14573 ± 5 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0888
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1267
• Weighted residual factors for all reflections included in the refinement: 0.1742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No