Information card for entry 7042184

Structure parameters

• Formula: C20 H16 N4
• Calculated formula: C20 H16 N4
• SMILES: c1ccc(cc1)c1cccc(n1)c1nnn(c1)Cc1ccccc1
• Title of publication: Phosphorescent Pt(ii) complexes bearing a monoanionic C^N^N luminophore and tunable ancillary ligands.
• Authors of publication: Hebenbrock, Marian; Stegemann, Linda; Kösters, Jutta; Doltsinis, Nikos L.; Müller, Jens; Strassert, Cristian A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 10
• Pages of publication: 3160 - 3169
• a: 5.7982 ± 0.0001 Å
• b: 11.2478 ± 0.0003 Å
• c: 24.4138 ± 0.0006 Å
• α: 90°
• β: 92.459 ± 0.002°
• γ: 90°
• Cell volume: 1590.73 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1069
• 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