Information card for entry 7243022

Structure parameters

• Formula: C10.33 H7.33 Cl4 N2 O0.33 Pt
• Calculated formula: C10.3333 H7.33333 Cl4 N2 O0.333333 Pt
• SMILES: [Pt]1([n]2c(c3[n]1ccc(Cl)c3)cc(Cl)cc2)(Cl)Cl.OC
• Title of publication: Elastic deformability and luminescence of crystals of polyhalogenated platinum(ii)‒bipyridine complexes
• Authors of publication: Yoshida, Masaki; Makino, Yusuke; Sasaki, Toshiyuki; Sakamoto, Shunichi; Takamizawa, Satoshi; Kobayashi, Atsushi; Kato, Masako
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 34
• Pages of publication: 5891 - 5898
• a: 7.3163 ± 0.0002 Å
• b: 12.5322 ± 0.0004 Å
• c: 22.0934 ± 0.0003 Å
• α: 99.217 ± 0.002°
• β: 97.693 ± 0.002°
• γ: 94.038 ± 0.002°
• Cell volume: 1972.82 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0402
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No