Information card for entry 4075016

Structure parameters

• Common name: Compound 3a
• Formula: C80 H108 Cd F20 N2 O Pt2
• Calculated formula: C80 H108 Cd F20 N2 O Pt2
• SMILES: [Pt]1([C]2[Cd]3456([C](#[C]3C(C)(C)C)[Pt]([C]5#[C]6C(C)(C)C)(c3c(c(c(c(c3F)F)F)F)F)c3c(c(c(c(c3F)F)F)F)F)([C]#2C(C)(C)C)[C]1#[C]4C(C)(C)C)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.C(CCC)[N+](CCCC)(CCCC)CCCC.C(CCC)[N+](CCCC)(CCCC)CCCC.O
• Title of publication: Synthesis, Structures, and Luminescence Behavior of Mixed Metal Alkynyl Platinum−Cadmium Complexes§
• Authors of publication: Fernández, Julio; Forniés, Juan; Gil, Belén; Gómez, Julio; Lalinde, Elena; Moreno, M. Teresa
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 9
• Pages of publication: 2274
• a: 19.7425 ± 0.0001 Å
• b: 24.6941 ± 0.0001 Å
• c: 38.1453 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 18596.7 ± 0.16 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 7
• 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: 0.0908
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1612
• Weighted residual factors for all reflections included in the refinement: 0.1936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No