Information card for entry 4123216

Structure parameters

• Formula: C64 H84 N2 Pt Sn2
• Calculated formula: C64 H84 N2 Pt Sn2
• SMILES: C(#[N]C(C)(C)C)[Pt](C#[N]C(C)(C)C)([Sn](c1c(cc(cc1C)C)C)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)[Sn](c1c(cc(cc1C)C)C)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)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: 22.0027 ± 0.0012 Å
• b: 22.0027 ± 0.0012 Å
• c: 24.3085 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10191.6 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.0815
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1666
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No