Information card for entry 4123212

Structure parameters

• Formula: C49 H78 N2 Pt Sn2
• Calculated formula: C49 H78 N2 Pt Sn2
• SMILES: [Pt]([Sn](C(C)(C)C)(C(C)(C)C)C(C)(C)C)([Sn](c1c(cc(cc1C)C)C)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(C#[N]C(C)(C)C)C#[N]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: 12.5045 ± 0.0003 Å
• b: 21.612 ± 0.0006 Å
• c: 21.7113 ± 0.0006 Å
• α: 90°
• β: 99.923 ± 0.001°
• γ: 90°
• Cell volume: 5779.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0593
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.1482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No