Information card for entry 4087740

Structure parameters

• Formula: C30 H60 O18 Zn6
• Calculated formula: C30 H60 O18 Zn6
• SMILES: C(C)[Zn]12OC3C[O](C)[Zn]4([O]=3)([O](CC(=[O]4)[O]3[Zn]4(CC)[O](C5C[O](C)[Zn]6([O]=5)(OC(C[O]6C)=[O][Zn]5(OC(C[O]5C)=[O]4)CC)CC)[Zn]3(CC)OC(C[O]2C)=[O]1)C)CC
• Title of publication: Structural Diversity of Ethylzinc Carboxylates
• Authors of publication: Grala, Agnieszka; Wolska-Pietkiewicz, Małgorzata; Wojewódzka, Anna; Dabergut, Monika; Justyniak, Iwona; Lewiński, Janusz
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 20
• Pages of publication: 4959
• a: 9.7611 ± 0.0005 Å
• b: 13.7772 ± 0.0008 Å
• c: 18.6959 ± 0.0009 Å
• α: 92.648 ± 0.002°
• β: 93.535 ± 0.002°
• γ: 92.932 ± 0.002°
• Cell volume: 2503.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0903
• Residual factor for significantly intense reflections: 0.0834
• Weighted residual factors for significantly intense reflections: 0.1909
• Weighted residual factors for all reflections included in the refinement: 0.1947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No