Information card for entry 7712518

Structure parameters

• Formula: C H9 Cl2 N5
• Calculated formula: C H9 Cl2 N5
• Title of publication: Cyclometalated Platinum(II) Complexes with Acyclic Diaminocarbene Ligands for OLED Application
• Authors of publication: Katkova, Svetlana; Kozina, Daria O.; Kisel, Kristina S.; Sandzhieva, Maria A.; Tarvanen, Dmitriy; Makarov, Sergey; Porsev, Vitaly Veniaminovich; Tunik, Sergey P.; Kinzhalov, Mikhail A.
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 4.503 ± 0.002 Å
• b: 21.234 ± 0.008 Å
• c: 6.936 ± 0.002 Å
• α: 90°
• β: 94.36 ± 0.03°
• γ: 90°
• Cell volume: 661.3 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• 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: 0.0718
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections: 0.1072
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No