Information card for entry 4512927

Structure parameters

• Formula: C16 H16 Cu2 N6 S2
• Calculated formula: C16 H16 Cu2 N6 S2
• Title of publication: Solvent-Free Synthesis of Luminescent Copper(I) Coordination Polymers with Thiourea Derivatives
• Authors of publication: Grifasi, Francesca; Chierotti, Michele R.; Garino, Claudio; Gobetto, Roberto; Priola, Emanuele; Diana, Eliano; Turci, Francesco
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 6
• Pages of publication: 2929
• a: 9.0102 ± 0.0002 Å
• b: 10.8418 ± 0.0003 Å
• c: 19.2997 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1885.33 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No