Information card for entry 7248848

Structure parameters

• Formula: C47 H24 F9 N8 S3 W
• Calculated formula: C47 H24 F9 N8 S3 W
• Title of publication: Structural diversity of supramolecular networks formed between polycyanometalates and sulfur-based chalcogen bond donors
• Authors of publication: Streit, Tim-Niclas; Langwald, Jan; Gomila, Rosa Maria; Frontera, Antonio; Malischewski, Moritz
• Journal of publication: CrystEngComm
• Year of publication: 2024
• a: 38.63 ± 0.005 Å
• b: 14.822 ± 0.002 Å
• c: 18.028 ± 0.002 Å
• α: 90°
• β: 101.077 ± 0.004°
• γ: 90°
• Cell volume: 10130 ± 2 ų
• Cell temperature: 105 K
• Ambient diffraction temperature: 105 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0613
• Weighted residual factors for all reflections included in the refinement: 0.0652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No