Information card for entry 4329161

Structure parameters

• Formula: C39 H34 Cl2 F6 N2 O0 Pt Si2
• Calculated formula: C39 H34 Cl2 F6 N2 Pt Si2
• SMILES: [Pt]1([n]2c(c3[n]1cc(cc3)C#C[Si](C)(C)C)ccc(c2)C#C[Si](C)(C)C)(C#Cc1ccc(cc1)C(F)(F)F)C#Cc1ccc(cc1)C(F)(F)F.C(Cl)Cl
• Title of publication: Vapochromic and Mechanochromic Phosphorescence Materials Based on a Platinum(II) Complex with 4-Trifluoromethylphenylacetylide
• Authors of publication: Xu Zhang; Jin-Yun Wang; Jun Ni; Li-Yi Zhang; Zhong-Ning Chen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 5569 - 5579
• a: 7.1353 ± 0.0007 Å
• b: 38.393 ± 0.003 Å
• c: 15.2803 ± 0.0017 Å
• α: 90°
• β: 96.035 ± 0.007°
• γ: 90°
• Cell volume: 4162.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.0804
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No