Information card for entry 7018821

Structure parameters

• Formula: C27 H51 N9 Zn3
• Calculated formula: C27 H51 N9 Zn3
• 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: 38.0471 ± 0.0005 Å
• b: 10.2929 ± 0.0008 Å
• c: 18.4412 ± 0.0002 Å
• α: 90°
• β: 107.167 ± 0.004°
• γ: 90°
• Cell volume: 6900.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0635
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No