Information card for entry 4074188

Structure parameters

• Common name: Compound X
• Formula: C66 H52 Ag F20 N3 Pt2
• Calculated formula: C66 H52 Ag F20 N3 Pt2
• SMILES: [Pt]12([Ag]3([Pt]4([n]5cccc6ccc7C=CC=[C]34c7c56)(c3c(c(c(c(c3F)F)F)F)F)c3c(c(c(c(c3F)F)F)F)F)[C]32=CC=Cc2ccc4ccc[n]1c4c32)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Influence of the Pt→Ag Donor−Acceptor Bond and Polymorphism on the Spectroscopic and Optical Properties of Heteropolynuclear Benzoquinolateplatinum(II) Complexes
• Authors of publication: Forniés, Juan; Ibáñez, Susana; Martín, Antonio; Sanz, Manuel; Berenguer, Jesús R.; Lalinde, Elena; Torroba, Javier
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 18
• Pages of publication: 4331
• a: 15.8558 ± 0.0002 Å
• b: 18.7693 ± 0.0002 Å
• c: 20.7563 ± 0.0003 Å
• α: 90°
• β: 91.565 ± 0.0004°
• γ: 90°
• Cell volume: 6174.82 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.09
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No