Information card for entry 7712519

Structure parameters

• Formula: C9 H8 N2 O
• Calculated formula: C9 H8 N2 O
• SMILES: c12ccccc1nc(c(=O)[nH]2)C
• 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: 3.971 ± 0.006 Å
• b: 11.238 ± 0.004 Å
• c: 16.947 ± 0.007 Å
• α: 90°
• β: 91.24 ± 0.07°
• γ: 90°
• Cell volume: 756.1 ± 1.2 ų
• Cell temperature: 120 ± 1 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 significantly intense reflections: 0.0579
• Weighted residual factors for all reflections included in the refinement: 0.1673
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No