Information card for entry 1564190

Structure parameters

• Formula: C30 H0 N2 O4 Zn
• Calculated formula: C30 H30 N2 O4 Zn
• SMILES: [C@@H](C1=[O][Zn]23([n]4ccccc4c4[n]2cccc4)(O1)[O]=C([C@@H](c1ccccc1)CC)O3)(CC)c1ccccc1.[C@H](C1=[O][Zn]23([n]4ccccc4c4[n]2cccc4)(O1)[O]=C([C@H](c1ccccc1)CC)O3)(CC)c1ccccc1
• Title of publication: Homo- and heteroleptic Zinc(II) carboxylates: Synthesis, structural characterization, and assessment of their biological significance in in vitro models
• Authors of publication: Naz, Saba; Uddin, Noor; Ullah, Kaleem; Haider, Ali; Gul, Amna; Faisal, Sulaiman; Nadhman, Akhtar; Bibi, Memoona; Yousuf, Sammer; Ali, Saqib
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 511
• Pages of publication: 119849
• a: 22.1723 ± 0.0008 Å
• b: 8.3066 ± 0.0003 Å
• c: 15.0836 ± 0.0006 Å
• α: 90°
• β: 111.857 ± 0.002°
• γ: 90°
• Cell volume: 2578.35 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0673
• Residual factor for significantly intense reflections: 0.0659
• Weighted residual factors for significantly intense reflections: 0.1779
• Weighted residual factors for all reflections included in the refinement: 0.1793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No