Information card for entry 1557791

Structure parameters

• Formula: C20 H16 Cl2 N4 O Pt
• Calculated formula: C20 H16 Cl2 N4 O Pt
• SMILES: [Pt]12(Cl)[n]3c(cccc3)c3cc(c4ncccc4)cc([n]23)c2cccc[n]12.[Cl-].O
• Title of publication: Cooperative phenomenon of vapochromism and proton conduction of luminescent Pt(ii) complexes for the visualisation of proton conductivity.
• Authors of publication: Kobayashi, Atsushi; Imada, Shin-Ichiro; Wang, Dongjin; Nagao, Yuki; Yoshida, Masaki; Kato, Masako
• Journal of publication: Faraday discussions
• Year of publication: 2021
• Journal volume: 225
• Pages of publication: 184 - 196
• a: 5.3046 ± 0.0001 Å
• b: 21.6781 ± 0.0003 Å
• c: 15.9776 ± 0.0002 Å
• α: 90°
• β: 94.542 ± 0.001°
• γ: 90°
• Cell volume: 1831.55 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0451
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No