Information card for entry 7018822

Structure parameters

• Formula: C36 H68 N12 O Zn5
• Calculated formula: C36 H68 N12 O Zn5
• Title of publication: Synthesis, structure and unique reactivity of the ethylzinc derivative of a bicyclic guanidine
• Authors of publication: Zelga, Karolina; Leszczyński, Michał; Justyniak, Iwona; Kornowicz, Arkadiusz; Cabaj, Maciej; Wheatley, Andrew E. H.; Lewiński, Janusz
• Journal of publication: Dalton Transactions
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 19
• Pages of publication: 5934
• a: 19.9841 ± 0.0004 Å
• b: 10.5322 ± 0.001 Å
• c: 20.1641 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4244.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1488
• Weighted residual factors for all reflections included in the refinement: 0.1824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No