Information card for entry 7708881

Structure parameters

• Formula: C39 H27 Cl3 N3 P Pt S
• Calculated formula: C39 H27 Cl3 N3 P Pt S
• SMILES: [Pt]12(c3ccccc3c3sc4ccccc4[n]13)[P](c1ccccc1c1n2c2c(n1)cccc2)(c1ccccc1)c1ccccc1.ClC(Cl)Cl
• Title of publication: Efficiently luminescent heteroleptic neutral platinum(II) complexes based on N^O and N^P benzimidazole ligands.
• Authors of publication: Zhang, Han; Liu, Chunmei; Yin, Guojie; Du, Chenxia; Zhang, Bin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• a: 11.3006 ± 0.0001 Å
• b: 13.7812 ± 0.0001 Å
• c: 23.3186 ± 0.0002 Å
• α: 90°
• β: 100.573 ± 0.001°
• γ: 90°
• Cell volume: 3569.88 ± 0.05 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291.15 K
• Number of distinct elements: 7
• 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: 0.0498
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No