Information card for entry 4349176

Structure parameters

• Formula: C28 H33 N5 O2 Pt
• Calculated formula: C28 H29 N5 O2 Pt
• SMILES: [Pt]12([n]3c(c4cccc(c24)c2ccn([n]12)CCCC)ccn3CCCC)C#Cc1ccc(N(=O)=O)cc1
• Title of publication: Cyclometalated Platinum(II) Complexes of 1,3-Bis(1-n-butylpyrazol-3-yl)benzenes: Synthesis, Characterization, Electrochemical, Photophysical, and Gelation Behavior Studies.
• Authors of publication: Ai, Yeye; Li, Yongguang; Ma, Huiqing; Su, Cheng-Yong; Yam, Vivian Wing-Wah
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 22
• Pages of publication: 11920 - 11929
• a: 12.099 ± 0.0002 Å
• b: 16.5708 ± 0.0003 Å
• c: 13.1513 ± 0.0002 Å
• α: 90°
• β: 109.946 ± 0.002°
• γ: 90°
• Cell volume: 2478.54 ± 0.08 ų
• Cell temperature: 289.41 ± 0.1 K
• Ambient diffraction temperature: 289.41 ± 0.1 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: 0.0381
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No