Information card for entry 7043328

Structure parameters

• Formula: C42 H52 N6 O2 Zn
• Calculated formula: C42 H52 N6 O2 Zn
• SMILES: CC(c1ccccc1)(c1ccccc1)O[Zn]([N]1CCCN2CCCNC=12)([N]1CCCN2CCCNC=12)OC(C)(c1ccccc1)c1ccccc1
• Title of publication: From ethylzinc guanidinate to [Zn10O4]-supertetrahedron
• Authors of publication: Leszczyński, Michał Krzysztof; Justyniak, Iwona; Zelga, Karolina; Lewinski, Janusz
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 14.061 ± 0.0008 Å
• b: 8.927 ± 0.0003 Å
• c: 19.162 ± 0.0009 Å
• α: 90°
• β: 129.338 ± 0.002°
• γ: 90°
• Cell volume: 1860.28 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No