Information card for entry 4346768

Structure parameters

• Formula: C70 H52 F6 N19 O15 P Pt2 Ru
• Calculated formula: C70 H52 F6 N19 O15 P Pt2 Ru
• SMILES: [Pt]12([n]3ccc(cc3)c3cc[n]4[Ru]56([n]7c(c4c3)cc(cc7)c3cc[n]([Pt]47[n]8ccccc8c8[n]4c(ccc8)c4cccc[n]74)cc3)([n]3ccccc3c3[n]5cccc3)[n]3ccccc3c3[n]6cccc3)[n]3ccccc3c3cccc([n]13)c1cccc[n]21.[P](F)(F)(F)(F)(F)[F-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Uniting Ruthenium(II) and Platinum(II) Polypyridine Centers in Heteropolymetallic Complexes Giving Strong Two-Photon Absorption.
• Authors of publication: Shi, Pengfei; Coe, Benjamin J.; Sánchez, Sergio; Wang, Daqi; Tian, Yupeng; Nyk, Marcin; Samoc, Marek
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 23
• Pages of publication: 11450 - 11456
• a: 8.5286 ± 0.0003 Å
• b: 22.2375 ± 0.001 Å
• c: 23.16 ± 0.0009 Å
• α: 73.804 ± 0.004°
• β: 83.47 ± 0.003°
• γ: 82.994 ± 0.003°
• Cell volume: 4171.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1331
• Residual factor for significantly intense reflections: 0.1037
• Weighted residual factors for significantly intense reflections: 0.2688
• Weighted residual factors for all reflections included in the refinement: 0.2993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No