Information card for entry 1556554

Structure parameters

• Formula: C38 H78 N4 Pd4 Si3
• Calculated formula: C41.5 H78 N4 Pd4 Si3
• SMILES: C(#[N]C(C)(C)C)[Pd]1[Si]2([Pd]3[Si]([Pd]2(C#[N]C(C)(C)C)C#[N]C(C)(C)C)(C(C)C)(C(C)C)[Pd](C#[N]C(C)(C)C)[Si]13(C(C)C)C(C)C)(C(C)C)C(C)C.c1(C)ccccc1
• Title of publication: Construction of a Planar Tetrapalladium Cluster by the Reaction of Palladium(0) Bis(isocyanide) with Cyclic Tetrasilane
• Authors of publication: Sunada, Y.; Taniyama, N.; Shimamoto, K.; Kyushin, S.; Nagashima, H.
• Journal of publication: Inorganics
• Year of publication: 2017
• Journal volume: 5
• Pages of publication: 84
• a: 10.8179 ± 0.0006 Å
• b: 22.0783 ± 0.0012 Å
• c: 22.8654 ± 0.0012 Å
• α: 90°
• β: 92.1391 ± 0.0012°
• γ: 90°
• Cell volume: 5457.4 ± 0.5 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 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: 0.0537
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1496
• Weighted residual factors for all reflections included in the refinement: 0.1518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No