Information card for entry 4315281

Structure parameters

• Formula: C49 H32 Cl4 N4 Pt2
• Calculated formula: C49 H32 Cl4 N4 Pt2
• SMILES: c1ccc2ccc3cccc4c3c2[n]1[Pt]4(C#[N]c1cc2ccccc2cc1)(Cl)[Pt]1(c2cccc3ccc4ccc[n]1c4c23)(C#[N]c1ccc2ccccc2c1)Cl.C(Cl)Cl
• Title of publication: Structural and Luminescence Studies on π...π and Pt...Pt Interactions in Mixed Chloro-Isocyanide Cyclometalated Platinum(II) Complexes
• Authors of publication: Álvaro Díez; Juan Forniés; Carmen Larraz; Elena Lalinde; José A. López; Antonio Martín; M. Teresa Moreno; Violeta Sicilia
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 3239 - 3251
• a: 14.447 ± 0.003 Å
• b: 19.398 ± 0.004 Å
• c: 15.12 ± 0.003 Å
• α: 90°
• β: 105.974 ± 0.004°
• γ: 90°
• Cell volume: 4073.7 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0855
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1398
• Weighted residual factors for all reflections included in the refinement: 0.1613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No