Information card for entry 4123215

Structure parameters

• Formula: C64 H64 N2 Pt Sn3
• Calculated formula: C64 H64 N2 Pt Sn3
• SMILES: [PtH]([Sn](c1ccccc1)(c1ccccc1)c1ccccc1)([Sn](c1ccccc1)(c1ccccc1)c1ccccc1)([Sn](c1ccccc1)(c1ccccc1)c1ccccc1)(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: 13.2568 ± 0.0006 Å
• b: 18.3985 ± 0.0008 Å
• c: 24.2209 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5907.6 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0654
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No