Information card for entry 7704439

Structure parameters

• Formula: C26 H27 Cl2 N3 O Zn
• Calculated formula: C26 H27 Cl2 N3 O Zn
• SMILES: [Zn]1(Cl)(Cl)[n]2c3[C@@](NC(=O)C)(CC[C@H](c3c(cc2c2[n]1cccc2)c1ccccc1)C(=C)C)C
• Title of publication: Luminescent Zn(ii) and Cd(ii) complexes with chiral 2,2'-bipyridine ligands bearing natural monoterpene groups: synthesis, speciation in solution and photophysics.
• Authors of publication: Kokina, Tatyana E.; Rakhmanova, Marianna I.; Shekhovtsov, Nikita A.; Glinskaya, Ludmila A.; Komarov, Vladislav Y.; Agafontsev, Alexander M.; Baranov, Andrey Y.; Plyusnin, Pavel E.; Sheludyakova, Liliya A.; Tkachev, Alexey V.; Bushuev, Mark B.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 22
• Pages of publication: 7552 - 7563
• a: 8.1145 ± 0.0002 Å
• b: 11.1511 ± 0.0003 Å
• c: 26.8325 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2427.95 ± 0.11 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: 0.0351
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0614
• Weighted residual factors for all reflections included in the refinement: 0.0634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No