Information card for entry 7712522

Structure parameters

• Formula: C47.6 H51.2 Cl5.2 N6 O2 Pt2
• Calculated formula: C46 H48 Cl2 N6 O2 Pt2
• 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: 19.2185 ± 0.0002 Å
• b: 10.5181 ± 0.0002 Å
• c: 26.3711 ± 0.0004 Å
• α: 90°
• β: 93.206 ± 0.001°
• γ: 90°
• Cell volume: 5322.37 ± 0.14 ų
• Cell temperature: 100.01 ± 0.13 K
• Ambient diffraction temperature: 100.01 ± 0.13 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0462
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No