Information card for entry 4349175

Structure parameters

• Formula: C21 H25 Cl N3 Pt
• Calculated formula: C20 H25 Cl N4 Pt
• SMILES: [Pt]12([n]3n(ccc3c3cccc(c4[n]1n(cc4)CCCC)c23)CCCC)Cl
• 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: 10.32728 ± 0.00015 Å
• b: 11.1756 ± 0.00016 Å
• c: 16.8866 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1948.94 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0231
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections included in the refinement: 0.0588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No