Information card for entry 7249474

Structure parameters

• Formula: C58 H84 N6 O14 Zn3
• Calculated formula: C58 H84 N6 O14 Zn3
• SMILES: c12cccc[n]1[Zn]145([O]=C(C)[O]4[Zn]34([O]=C(C)O1)(OC(C)=[O]5)[O]=C(C)O[Zn]15([n]6c(cccc6)N=[N]1c1ccc(cc1)OCCCCCCCCCCCC)([O]=C(C)[O]35)[O]=C(C)O4)[N](c1ccc(cc1)OCCCCCCCCCCCC)=N2
• Title of publication: Self-assembly properties of zinc(ii) complexes with azo ligands grafted with dodecyl chains: towards supramolecular materials driven by coordination and hydrophobic effect
• Authors of publication: Gak Simić, Kristina; Đorđević, Ivana; Mašulović, Aleksandra; Radovanović, Lidija; Jeannin, Olivier; Camerel, Franck; Trišović, Nemanja
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 45
• Pages of publication: 6448 - 6464
• a: 9.8122 ± 0.0012 Å
• b: 10.5321 ± 0.0013 Å
• c: 14.9799 ± 0.0017 Å
• α: 87.605 ± 0.004°
• β: 87.231 ± 0.004°
• γ: 86.746 ± 0.004°
• Cell volume: 1542.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No