Information card for entry 7107869

Structure parameters

• Common name: Compound X
• Formula: C22 H20 N2 O2 Pt Tl2
• Calculated formula: C22 H20 N2 O2 Pt Tl2
• SMILES: OC.[Pt](C#N)(C#N)(C#Cc1ccc(C)cc1)C#Cc1ccc(C)cc1.[Tl+].[Tl+].OC
• Title of publication: Novel mixed anion [trans-Pt(C[triple bond, length as m-dash]CTol)2(CN)2]2- as a building block of new luminescent PtII-TlI and PtII-PbII coordination polymers
• Authors of publication: Jesus R. Berenguer; Julio Fernandez; Elena Lalinde; Sergio Sanchez
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 6384
• a: 6.245 ± 0.0003 Å
• b: 7.332 ± 0.0003 Å
• c: 13.413 ± 0.0006 Å
• α: 87.875 ± 0.003°
• β: 86.713 ± 0.003°
• γ: 70.242 ± 0.002°
• Cell volume: 576.95 ± 0.05 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1365
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No