Information card for entry 7042183

Structure parameters

• Formula: C25 H20 Cl N5 O4 Pt
• Calculated formula: C25 H20 Cl N5 O4 Pt
• SMILES: [Pt]12([n]3c(c4cccc([n]14)c1c2cccc1)cn(n3)Cc1ccccc1)[n]1ccccc1.Cl(=O)(=O)(=O)[O-]
• 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: 16.6343 ± 0.0008 Å
• b: 21.0742 ± 0.0008 Å
• c: 14.0639 ± 0.0006 Å
• α: 90°
• β: 108.465 ± 0.001°
• γ: 90°
• Cell volume: 4676.3 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• 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: 0.0459
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No