Information card for entry 7018823

Structure parameters

• Formula: C40 H74 Cl2 N12 O4 Zn4
• Calculated formula: C40 H74 Cl2 N12 O4 Zn4
• SMILES: C(C)[O]12[Zn]3(Cl)N4CCCN5CCC[N](=C45)[Zn]41N1CCCN5CCC[N](=C15)[Zn]1(N5CCCN6CCC[N](=C56)[Zn]2(N2CCCN5CCC[N]3=C25)[O]41CC)Cl.O1CCCC1.O1CCCC1
• 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: 9.3691 ± 0.0002 Å
• b: 10.1339 ± 0.0004 Å
• c: 13.1572 ± 0.0005 Å
• α: 94.329 ± 0.001°
• β: 105.682 ± 0.002°
• γ: 95.588 ± 0.002°
• Cell volume: 1190.23 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No