Information card for entry 4315280

Structure parameters

• Common name: ad268-1
• Formula: C22 H17 Cl N2 Pt
• Calculated formula: C22 H17 Cl N2 Pt
• SMILES: c1cc(C)c(c(c1)C)[N]#C[Pt]1(c2c3c4[n]1cccc4ccc3ccc2)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: 15.5637 ± 0.0005 Å
• b: 7.5684 ± 0.0003 Å
• c: 17.1981 ± 0.0006 Å
• α: 90°
• β: 115.541 ± 0.002°
• γ: 90°
• Cell volume: 1827.84 ± 0.12 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 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: 0.0525
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No