Information card for entry 7029233

Structure parameters

• Formula: C28 H21 Br Cl4 N2 Pt
• Calculated formula: C28 H21 Br Cl4 N2 Pt
• SMILES: [Pt]1([n]2c(c3[n]1cccc3)cc(Br)cc2)(C#Cc1ccccc1)C#Cc1ccccc1.ClCCl.ClCCl
• Title of publication: Thermo- and mechanical-grinding-triggered color and luminescence switches of the diimine-platinum(II) complex with 4-bromo-2,2'-bipyridine.
• Authors of publication: Ni, Jun; Wang, You-Gui; Wang, Hui-Hui; Xu, Liang; Zhao, Yan-Qiu; Pan, Yu-Zhen; Zhang, Jian-Jun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 1
• Pages of publication: 352 - 360
• a: 7.684 ± 0.002 Å
• b: 22.104 ± 0.003 Å
• c: 17.567 ± 0.003 Å
• α: 90°
• β: 95.756 ± 0.002°
• γ: 90°
• Cell volume: 2968.7 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0991
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No