Information card for entry 4346193

Structure parameters

• Formula: C42 H38 Br2 N6 O2 Pt2 S2
• Calculated formula: C42 H38 Br2 N6 O2 Pt2 S2
• SMILES: [Pt]123([Pt]4(Br)(Sc5[n]2cccn5)([n]2cccc5ccc6cccc4c6c25)[n]2c(S1)nccc2)(Br)[n]1cccc2ccc4cccc3c4c12.O1CCCC1.O1CCCC1
• Title of publication: Oxidation of Half-Lantern Pt2(II,II) Compounds by Halocarbons. Evidence of Dioxygen Insertion into a Pt(III)-CH3 Bond.
• Authors of publication: Sicilia, V.; Baya, M.; Borja, P.; Martín, A
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 15
• Pages of publication: 7316 - 7324
• a: 11.5273 ± 0.0002 Å
• b: 14.2658 ± 0.0002 Å
• c: 24.2312 ± 0.0003 Å
• α: 86.954 ± 0.001°
• β: 83.449 ± 0.001°
• γ: 81.995 ± 0.001°
• Cell volume: 3917.33 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No