Information card for entry 7117764

Structure parameters

• Formula: C32 H48 N5 Pt
• Calculated formula: C32 H49 N5 Pt
• SMILES: [Pt]1(c2c(c3[n]1cccc3)ccc(c2)C)(C#N)C#N.[N+](CCCC)(CCCC)(CCCC)CCCC.N#CC
• Title of publication: A dual-emissive ionic liquid based on an anionic platinum(II) complex
• Authors of publication: Ogawa, Tomohiro; Yoshida, Masaki; Ohara, Hiroki; Kobayashi, Atsushi; Kato, Masako
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 69
• Pages of publication: 13377 - 13380
• a: 22.614 ± 0.008 Å
• b: 8.529 ± 0.003 Å
• c: 17.808 ± 0.006 Å
• α: 90°
• β: 107.877 ± 0.005°
• γ: 90°
• Cell volume: 3269 ± 2 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• 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: 0.0491
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7117651
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No