Information card for entry 1515039

Structure parameters

• Formula: C93 H117 F6 N7 O8 Pt2 S2
• Calculated formula: C93 H117 F6 N7 O8 Pt2 S2
• SMILES: [Pt]12([n]3ccc(cc3c3cc(cc([n]13)c1cc(cc[n]21)C(C)(C)C)C(C)(C)C)C(C)(C)C)C#Cc1cc(cc(c1)c1nc(ccc1)c1cc(cc(c1)C#C[Pt]12[n]3ccc(cc3c3cc(cc([n]13)c1cc(cc[n]21)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.O(CC)CC.O(CC)CC
• Title of publication: Phosphorescent molecular tweezers based on alkynylplatinum(ii) terpyridine system: turning on of NIR emission via heterologous Pt⋯M interactions (M = PtII, PdII, AuIII and AuI)
• Authors of publication: Tanaka, Yuya; Man-Chung Wong, Keith; Wing-Wah Yam, Vivian
• Journal of publication: Chemical Science
• Year of publication: 2012
• Journal volume: 3
• Journal issue: 4
• Pages of publication: 1185
• a: 19.5557 ± 0.0018 Å
• b: 20.1957 ± 0.0019 Å
• c: 30.683 ± 0.003 Å
• α: 99.204 ± 0.001°
• β: 101.673 ± 0.002°
• γ: 95.081 ± 0.002°
• Cell volume: 11622.6 ± 1.9 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1284
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.158
• Weighted residual factors for all reflections included in the refinement: 0.1833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No