Information card for entry 7229366

Structure parameters

• Formula: C30 H2 F20 O4 Pt
• Calculated formula: C30 H2 F20 O4 Pt
• SMILES: Fc1c(C2=[O][Pt]3(OC(=CC(=[O]3)c3c(F)c(F)c(F)c(F)c3F)c3c(c(c(c(c3F)F)F)F)F)OC(=C2)c2c(c(c(c(c2F)F)F)F)F)c(F)c(F)c(F)c1F
• Title of publication: Enhanced adsorption of small gas molecules in metal (Cu2+, Pd2+, Pt2+) complexes induced by ligand fluorination
• Authors of publication: Hori, Akiko; Gonda, Ryu; Rzeznicka, Izabela I.
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 3.6433 ± 0.0008 Å
• b: 14.063 ± 0.003 Å
• c: 14.147 ± 0.003 Å
• α: 101.081 ± 0.002°
• β: 90.448 ± 0.002°
• γ: 94.459 ± 0.002°
• Cell volume: 709 ± 0.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0163
• Residual factor for significantly intense reflections: 0.0163
• Weighted residual factors for significantly intense reflections: 0.0393
• Weighted residual factors for all reflections included in the refinement: 0.0393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No