Information card for entry 4114606

Structure parameters

• Common name: 97212e
• Formula: C20 H18 N4 Pt
• Calculated formula: C20 H18 N4 Pt
• SMILES: [Pt](C#N)(C#N)(C#[N]c1ccc(cc1)CC)C#[N]c1ccc(cc1)CC
• Title of publication: Synthesis and Characterization of Pt(CN-p-(C2H5)C6H4)2(CN)2, a Crystalline Vapoluminescent Compound That Detects Vapor-Phase Aromatic Hydrocarbons
• Authors of publication: Carrie E. Buss; Kent R. Mann
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 1031 - 1039
• a: 20.0943 ± 0.0009 Å
• b: 18.2433 ± 0.0008 Å
• c: 13.1405 ± 0.0005 Å
• α: 90°
• β: 117.813 ± 0.001°
• γ: 90°
• Cell volume: 4260.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1055
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections: 0.1023
• Weighted residual factors for significantly intense reflections: 0.0848
• Goodness-of-fit parameter for all reflections: 0.932
• Goodness-of-fit parameter for significantly intense reflections: 1.211
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No