Information card for entry 1570361

Structure parameters

• Formula: C52 H36 F6 N4 O Pt2 S
• Calculated formula: C52 H36 F6 N4 O Pt2 S
• Title of publication: Solution-state mechanochromic luminescence of Pt(ii)-complexes displayed within micellar aromatic capsules.
• Authors of publication: Hashimoto, Yoshihisa; Katagiri, Yuri; Tanaka, Yuya; Yoshizawa, Michito
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 48
• Pages of publication: 14211 - 14216
• a: 8.8576 ± 0.0001 Å
• b: 32.2146 ± 0.0004 Å
• c: 31.0202 ± 0.0003 Å
• α: 90°
• β: 92.363 ± 0.001°
• γ: 90°
• Cell volume: 8843.9 ± 0.17 ų
• Cell temperature: 93 ± 3 K
• Ambient diffraction temperature: 93 ± 3 K
• Number of distinct elements: 7
• 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: 0.047
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No