Information card for entry 1569090

Structure parameters

• Formula: C24 H20 Br N O3 S
• Calculated formula: C24 H20 Br N O3 S
• Title of publication: Enhanced catalytic performance derived from stimuli-responsive supramolecular transformations between homometallic complexes and heterometallic polymeric materials
• Authors of publication: Kurpik, Gracjan; Walczak, Anna; Markiewicz, Grzegorz; Harrowfield, Jack; Stefankiewicz, Artur Ryszard
• Journal of publication: Nanoscale
• Year of publication: 2023
• a: 9.3901 ± 0.0008 Å
• b: 15.1733 ± 0.0008 Å
• c: 16.2514 ± 0.0007 Å
• α: 73.186 ± 0.004°
• β: 77.982 ± 0.005°
• γ: 87.462 ± 0.005°
• Cell volume: 2167.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1025
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No