Information card for entry 7227535

Structure parameters

• Formula: C24 H44 N12 S4 Zn2
• Calculated formula: C24 H44 N12 S4 Zn2
• SMILES: C1(NC(C)C)=N[N]2=C(C(=[N]3N=C(NC(C)C)[S]4[Zn]23(S1)[S]1C(=N[N]2=C(C(C)=[N]3N=C(NC(C)C)S[Zn]4123)C)NC(C)C)C)C
• Title of publication: Structural diversity and supramolecular architectures of Zn(ii), Cu(ii) and Ni(ii) complexes by selective control of the degree of deprotonation of diacetyl bis(4-isopropyl-3-thiosemicarbazone)
• Authors of publication: González-García, Cristina; Mendiola, M. Antonia; Perles, Josefina; López-Torres, Elena
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 7
• Pages of publication: 1035
• a: 8.6284 ± 0.0004 Å
• b: 10.0416 ± 0.0004 Å
• c: 11.2867 ± 0.0005 Å
• α: 74.662 ± 0.002°
• β: 69.52 ± 0.002°
• γ: 89.89 ± 0.002°
• Cell volume: 879.02 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0372
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No