Information card for entry 7712893

Structure parameters

• Formula: C25 H28 Cd Cl2 N2 O2
• Calculated formula: C25 H28 Cd Cl2 N2 O2
• 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: 6.9333 ± 0.0003 Å
• b: 28.6315 ± 0.0014 Å
• c: 12.6065 ± 0.0007 Å
• α: 90°
• β: 99.52 ± 0.002°
• γ: 90°
• Cell volume: 2468.1 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No