Information card for entry 4337894

Structure parameters

• Formula: C30 H22 Cl F6 N5 O7 Pt S2
• Calculated formula: C30 H22 Cl F6 N5 O7 Pt S2
• SMILES: c1cccc2c3cc(cc4c5cccc[n]5[Pt](Cl)([n]12)[n]34)c1ccc(cc1)C[n+]1cccc(c1)C(=O)N.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: Reversible Mechanochromic Luminescence at Room Temperature in Cationic Platinum(II) Terpyridyl Complexes.
• Authors of publication: Han, Ali; Du, Pingwu; Sun, Zijun; Wu, Haotian; Jia, Hongxing; Zhang, Rui; Liang, Zhenning; Cao, Rui; Eisenberg, Richard
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 3338
• a: 6.6357 ± 0.0005 Å
• b: 14.1424 ± 0.0011 Å
• c: 18.142 ± 0.0014 Å
• α: 90.95 ± 0.001°
• β: 94.208 ± 0.001°
• γ: 94.766 ± 0.001°
• Cell volume: 1691.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0265
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections included in the refinement: 0.0625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No