Information card for entry 7241026

Structure parameters

• Formula: C54 H32 Au2 Cd2 N10 S12
• Calculated formula: C54 H32 Au2 Cd2 N10 S12
• Title of publication: Heterometallic coordination polymers based on homo- and heteroleptic Au(III) dithiolene complexes
• Authors of publication: Bechu, Damien; Petre, Alexandru Mihai; Hosseini, Mir Wais; Baudron, Stéphane
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 20.1754 ± 0.0012 Å
• b: 7.5445 ± 0.0004 Å
• c: 37.558 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5716.8 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0416
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0504
• Weighted residual factors for all reflections included in the refinement: 0.0539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No