Information card for entry 1575489

Structure parameters

• Formula: C36 H47 Cl3 F6 N5 P Pt
• Calculated formula: C36 H47 Cl3 F6 N5 P Pt
• Title of publication: Modulating supramolecular Pt⋯Pt interactions and π-π stacking for high-contrast mechanochromic and vapochromic materials.
• Authors of publication: Du, Xianchao; Liu, Xiang; Liu, Qianyun; Zong, Luyi; Xing, Xiaojing; Cheng, Xinfeng; Qiu, Dongfang; Yuan, Mao-Sen
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 76
• Pages of publication: 14657 - 14660
• a: 13.9342 ± 0.0003 Å
• b: 15.3376 ± 0.0004 Å
• c: 37.3733 ± 0.0009 Å
• α: 90°
• β: 99.012 ± 0.001°
• γ: 90°
• Cell volume: 7888.7 ± 0.3 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 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: 0.0696
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No