Information card for entry 1560516

Structure parameters

• Formula: C13 H18 Cu N5 S3
• Calculated formula: C13 H18 Cu N5 S3
• Title of publication: Structural variability in Cu(I) and Ag(I) coordination polymers with a flexible dithione ligand: Synthesis, crystal structure, microbiological and theoretical studies
• Authors of publication: Beheshti, Azizolla; Nozarian, Kimia; Babadi, Susan Soleymani; Noorizadeh, Siamak; Motamedi, Hossein; Mayer, Peter; Bruno, Giuseppe; Rudbari, Hadi Amiri
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2017
• Journal volume: 249
• Pages of publication: 70 - 79
• a: 7.809 ± 0.0003 Å
• b: 12.353 ± 0.0005 Å
• c: 18.497 ± 0.0008 Å
• α: 90°
• β: 95.18 ± 0.002°
• γ: 90°
• Cell volume: 1777.02 ± 0.13 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0286
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0685
• 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