Information card for entry 7236166

Structure parameters

• Formula: C36 H32 Cu2 N8 O8 S2
• Calculated formula: C36 H32 Cu2 N8 O8 S2
• Title of publication: Solvent-dependent access to mono- and dinuclear copper(ii) assemblies based on a flexible imidazole ligand
• Authors of publication: Kitos, Alexandros A.; Moushi, Eleni E.; Manos, Manolis J.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Nastopoulos, Vassilios
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 25
• Pages of publication: 4733
• a: 10.6138 ± 0.0002 Å
• b: 11.0181 ± 0.0002 Å
• c: 16.4294 ± 0.0004 Å
• α: 90°
• β: 100.83 ± 0.002°
• γ: 90°
• Cell volume: 1887.1 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No