Information card for entry 7034585

Structure parameters

• Chemical name: 3a
• Formula: C43 H46 F3 N5 O4 Pt S
• Calculated formula: C43 H46 F3 N5 O4 Pt S
• Title of publication: Synthesis, characterization, photophysics, and anion binding properties of platinum(ii) acetylide complexes with urea group.
• Authors of publication: Zhang, Zhi-Hui; Liu, Jiewei; Wan, Li-Qi; Jiang, Fang-Ru; Lam, Chi-Keung; Ye, Bao-Hui; Qiao, Zhengping; Chao, Hsiu-Yi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 17
• Pages of publication: 7785 - 7796
• a: 9.3035 ± 0.0003 Å
• b: 12.023 ± 0.0005 Å
• c: 20.6666 ± 0.0005 Å
• α: 88.269 ± 0.003°
• β: 87.144 ± 0.002°
• γ: 79.98 ± 0.003°
• Cell volume: 2273.05 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1288
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No