Information card for entry 4329160

Structure parameters

• Formula: C39 H34 Cl F6 N2 O0 Pt Si2
• Calculated formula: C39 H34 Cl F6 N2 Pt Si2
• 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: 7.084 ± 0.003 Å
• b: 37.329 ± 0.017 Å
• c: 15.811 ± 0.007 Å
• α: 90°
• β: 94.648 ± 0.007°
• γ: 90°
• Cell volume: 4167 ± 3 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: 0.0856
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1927
• Weighted residual factors for all reflections included in the refinement: 0.2116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No