Information card for entry 7023480

Structure parameters

• Formula: C42 H45 N3 Pt Si2
• Calculated formula: C42 H45 N3 Pt Si2
• SMILES: C[Si](C)(C)C#Cc1c[n]2c(c3ccc(c[n]3[Pt]2(C#Cc2ccc(cc2)CC)C#Cc2ccc(cc2)CC)C#C[Si](C)(C)C)cc1.CC#N
• 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: 13.2821 ± 0.0003 Å
• b: 30.6005 ± 0.0007 Å
• c: 20.2538 ± 0.0004 Å
• α: 90°
• β: 91.823 ± 0.001°
• γ: 90°
• Cell volume: 8227.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0612
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No