Information card for entry 4123218

Structure parameters

• Formula: C26 H54 O2 Pt Sn2
• Calculated formula: C26 H54 O2 Pt Sn2
• SMILES: C(#[O])[Pt](C#[O])([Sn](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[Sn](C(C)(C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: Pendant Alkyl and Aryl Groups on Tin Control Complex Geometry and Reactivity with H2/D2 in Pt(SnR3)2(CNBu(t))2 (R = Bu(t), Pr(i), Ph, Mesityl).
• Authors of publication: Koppaka, Anjaneyulu; Zhu, Lei; Yempally, Veeranna; Isrow, Derek; Pellechia, Perry J.; Captain, Burjor
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 1
• Pages of publication: 445 - 456
• a: 15.3248 ± 0.0002 Å
• b: 9.1981 ± 0.0001 Å
• c: 24.1611 ± 0.0003 Å
• α: 90°
• β: 98.2477 ± 0.0006°
• γ: 90°
• Cell volume: 3370.5 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.199
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No