Information card for entry 1557792

Structure parameters

• Formula: C21 H18 Cl2 N4 O Pt
• Calculated formula: C21 H18 Cl2 N4 O Pt
• SMILES: [Pt]12(Cl)[n]3c(cc(c4ncccc4)cc3c3cccc[n]13)c1[n]2cccc1.[Cl-].OC
• 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: 8.0185 ± 0.0001 Å
• b: 10.5928 ± 0.0002 Å
• c: 13.0124 ± 0.0003 Å
• α: 69.402 ± 0.002°
• β: 86.254 ± 0.002°
• γ: 72.413 ± 0.002°
• Cell volume: 985.2 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0267
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 0.74
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No