Information card for entry 7712892

Structure parameters

• Formula: C27 H28 Cl2 N3 O Zn
• Calculated formula: C27 H28 Cl2 N3 O Zn
• Title of publication: Efficient emission of Zn(II) and Cd(II) complexes with nopinane-annelated 4,5-diazafluorene and 4,5-diazafluoren-9-one ligands: how slight structural modification alters fluorescence mechanism
• Authors of publication: Kokina, T. E.; Shekhovtsov, Nikita; Vasilyev, Evgene S.; Glinskaya, Ludmila; Mikheilis, Alexsandr V.; Plyusnin, Victor F.; Tkachev, Alexey V.; Bushuev, Mark B.
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 10.298 ± 0.0005 Å
• b: 14.6532 ± 0.0007 Å
• c: 17.2961 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2610 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No