Information card for entry 7248845

Structure parameters

• Formula: C32 H20 Cl4 F6 N4 Ni S2
• Calculated formula: C32 H20 Cl4 F6 N4 Ni S2
• 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: 7.5146 ± 0.0003 Å
• b: 10.6915 ± 0.0005 Å
• c: 12.0434 ± 0.0005 Å
• α: 103.512 ± 0.002°
• β: 103.72 ± 0.002°
• γ: 106.57 ± 0.002°
• Cell volume: 852.48 ± 0.07 ų
• Cell temperature: 105 K
• Ambient diffraction temperature: 105 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0287
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No