Information card for entry 7013453

Structure parameters

• Formula: C70 H90 Cl6 F12 N2 Pt
• Calculated formula: C70 H90 Cl6 F12 N2 Pt
• SMILES: [Pt](C#Cc1ccc(cc1)C(F)(F)F)(C#Cc1ccc(cc1)C(F)(F)F)(C#Cc1ccc(cc1)C(F)(F)F)C#Cc1ccc(cc1)C(F)(F)F.ClC(Cl)Cl.ClC(Cl)Cl.[N+](CCCC)(CCCC)(CCCC)CCCC.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Synthesis, characterization and luminescence properties of homoleptic platinum(II) acetylide complexes
• Authors of publication: José Benito; Jesús R. Berenguer; Juan Forniés; Belén Gil; Julio Gómez; Elena Lalinde
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 22
• Pages of publication: 4331 - 4339
• a: 12.138 ± 0.0002 Å
• b: 16.952 ± 0.0003 Å
• c: 18.008 ± 0.0004 Å
• α: 90°
• β: 95.772 ± 0.001°
• γ: 90°
• Cell volume: 3686.6 ± 0.12 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No