Information card for entry 7043329

Structure parameters

• Formula: C64 H116 N24 O4 Zn10
• Calculated formula: C64 H116 N24 O4 Zn10
• SMILES: C(C)[Zn]1[O]23[Zn]4([N]5=C6N(CCCN6CCC5)[Zn]52N2CCCN6CCC[N](=C26)[Zn]26N7CCCN8CCC[N](=C78)[Zn](CC)[O]52[Zn]25N7CCCN8CCC[N](=C78)[Zn](CC)[O]45[Zn]4(N5CCCN7CCC[N]2=C57)N2CCCN5CCC[N](=C25)[Zn]23N3CCCN5CCC[N](=C35)[Zn](CC)[O]642)N2CCCN3CCC[N]1=C23
• 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: 13.219 ± 0.0004 Å
• b: 13.219 ± 0.0004 Å
• c: 20.975 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3665.21 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0942
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.1522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No