Information card for entry 7242248

Structure parameters

• Formula: C22 H34 N10 O2 Zn2
• Calculated formula: C22 H34 N10 O2 Zn2
• SMILES: [Zn]123([NH](Cc4c([O]1[Zn]15([O]2c2c(C[NH]1CC[N]5(C)C)cccc2)N=N#N)cccc4)CC[N]3(C)C)N=N#N
• Title of publication: Insight into the formation of H-bonds propagating the monomeric zinc complexes of a tridentate reduced Schiff base to form an infinite chain
• Authors of publication: Karmakar, Mainak; Frontera, Antonio; Chattopadhyay, Shouvik
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 9
• Pages of publication: 1918 - 1928
• a: 8.3694 ± 0.0013 Å
• b: 11.2558 ± 0.0018 Å
• c: 15.878 ± 0.003 Å
• α: 104.975 ± 0.004°
• β: 101.287 ± 0.004°
• γ: 97.972 ± 0.004°
• Cell volume: 1388.5 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0812
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1327
• Weighted residual factors for all reflections included in the refinement: 0.1628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No