Information card for entry 4337433

Structure parameters

• Formula: C30 H18 Cl3 F5 N2 O Pt
• Calculated formula: C30 H18 Cl3 F5 N2 O Pt
• SMILES: [Pt]1(c2cccc3ccc4ccc[n]1c4c23)([n]1c(ccc2cccc(O)c12)C)c1c(F)c(F)c(F)c(F)c1F.ClC(Cl)Cl
• Title of publication: Synthesis, characterization, and computational study of complexes containing Pt···H hydrogen bonding interactions.
• Authors of publication: Baya, Miguel; Belío, Ursula; Martín, Antonio
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 189 - 200
• a: 10.9721 ± 0.0002 Å
• b: 15.5286 ± 0.0002 Å
• c: 16.6883 ± 0.0002 Å
• α: 90°
• β: 107.556 ± 0.002°
• γ: 90°
• Cell volume: 2710.94 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0191
• Residual factor for significantly intense reflections: 0.0174
• Weighted residual factors for significantly intense reflections: 0.0424
• Weighted residual factors for all reflections included in the refinement: 0.0432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No