Information card for entry 7708875

Structure parameters

• Formula: C40 H32 Cl2 N3 O2 P Pt S
• Calculated formula: C40 H32 Cl2 N3 O2 P Pt S
• SMILES: [Pt]12(c3ccccc3c3sc4c([n]13)cccc4)[O]=P(c1ccccc1c1n2c2c(n1)cccc2)(c1ccccc1)c1ccccc1.ClCCl.OC
• 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: 11.946 ± 0.006 Å
• b: 12.473 ± 0.003 Å
• c: 12.753 ± 0.004 Å
• α: 89.885 ± 0.009°
• β: 78.801 ± 0.014°
• γ: 72.895 ± 0.015°
• Cell volume: 1778.5 ± 1.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No