Information card for entry 4107142

Structure parameters

• Formula: C60 H92 Ge3 P6 Pd4
• Calculated formula: C60 H85 Ge3 P6 Pd4
• SMILES: [Pd]12345[Pd]67([Ge]4([Pd]42([Ge]3([Pd]21([Ge]56(c1ccccc1)c1ccccc1)[P](C)(C)CC[P]2(C)C)(c1ccccc1)c1ccccc1)[P](C)(C)CC[P]4(C)C)(c1ccccc1)c1ccccc1)[P](C)(C)CC[P]7(C)C.CCCCCC
• Title of publication: Tetrapalladium Complex with Bridging Germylene Ligands. Structural Change of the Planar Pd4Ge3 Core
• Authors of publication: Makoto Tanabe; Naoko Ishikawa; Mai Chiba; Tomohito Ide; Kohtaro Osakada; Tomoaki Tanase
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 18598 - 18601
• a: 18.635 ± 0.002 Å
• b: 27.701 ± 0.003 Å
• c: 27.386 ± 0.003 Å
• α: 90°
• β: 99.7603 ± 0.0014°
• γ: 90°
• Cell volume: 13932 ± 3 ų
• Cell temperature: 113.1 K
• Ambient diffraction temperature: 113.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0983
• Residual factor for significantly intense reflections: 0.0799
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.302
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No