Information card for entry 7023479

Structure parameters

• Formula: C41.5 H45 Cl3 N2 Pt Si2
• Calculated formula: C41.5 H45 Cl3 N2 Pt Si2
• SMILES: [Pt]1([n]2c(c3[n]1cc(C#C[Si](C)(C)C)cc3)ccc(c2)C#C[Si](C)(C)C)(C#Cc1ccc(cc1)CC)C#Cc1ccc(cc1)CC.ClCCl.ClCCl
• Title of publication: A new sensor for detection of CH3CN and ClCH2CN vapors based on vapoluminescent platinum(II) complex.
• Authors of publication: Ni, Jun; Wang, You-Gui; Wang, Jin-Yun; Zhao, Yan-Qiu; Pan, Yu-Zhen; Wang, Hui-Hui; Zhang, Xu; Zhang, Jian-Jun; Chen, Zhong-Ning
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 36
• Pages of publication: 13092 - 13100
• a: 12.1068 ± 0.0004 Å
• b: 18.3651 ± 0.0007 Å
• c: 21.0217 ± 0.0007 Å
• α: 74.111 ± 0.002°
• β: 77.9 ± 0.002°
• γ: 81.188 ± 0.002°
• Cell volume: 4372.7 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0463
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No