Information card for entry 7060117

Structure parameters

• Formula: C40 H60 N8 O6 S6 Zn2
• Calculated formula: C40 H60 N8 O6 S6 Zn2
• Title of publication: Fluorescence studies and photocatalytic application for hydrogen production of ZnII and CdII complexes with isophthaloylbis(thioureas)
• Authors of publication: Schwade, Vânia Denise; Teixeira, Estefane Isis; dos Santos, Fábio Alencar; Bortolotto, Tanize; Tirloni, Bárbara; Abram, Ulrich
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 45
• Pages of publication: 19598 - 19611
• a: 8.295 ± 0.002 Å
• b: 9.985 ± 0.004 Å
• c: 15.477 ± 0.006 Å
• α: 94.172 ± 0.009°
• β: 97.601 ± 0.013°
• γ: 93.766 ± 0.01°
• Cell volume: 1263.6 ± 0.8 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0704
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.56086 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No