Information card for entry 7042185

Structure parameters

• Formula: C20 H15 Cl N4 Pt
• Calculated formula: C20 H15 Cl N4 Pt
• SMILES: Cl[Pt]12[n]3c(c4cn(n[n]24)Cc2ccccc2)cccc3c2c1cccc2
• 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: 11.3866 ± 0.0015 Å
• b: 11.7661 ± 0.0016 Å
• c: 13.1533 ± 0.0018 Å
• α: 90°
• β: 96.568 ± 0.003°
• γ: 90°
• Cell volume: 1750.7 ± 0.4 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: 0.0221
• Residual factor for significantly intense reflections: 0.0209
• Weighted residual factors for significantly intense reflections: 0.0534
• Weighted residual factors for all reflections included in the refinement: 0.054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No