Information card for entry 4336199

Structure parameters

• Formula: C52 H56 N8 Pd2
• Calculated formula: C52 H56 N8 Pd2
• SMILES: C[N]1(C)CC[N](C)(C)[Pd]21[n]1ccc(cc1)C#Cc1cc(ccc1)C#Cc1cc[n](cc1)[Pd]1([n]3ccc(cc3)C#Cc3cc(ccc3)C#Cc3cc[n]2cc3)[N](C)(C)CC[N]1(C)C
• Title of publication: Synthesis and Characterization of Molecular Hexagons and Rhomboids and Subsequent Encapsulation of Keggin-Type Polyoxometalates by Molecular Hexagons
• Authors of publication: Kazuhiro Uehara; Takamichi Oishi; Takayuki Hirose; Noritaka Mizuno
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 11200 - 11209
• a: 19.7695 ± 0.0009 Å
• b: 21.0669 ± 0.0009 Å
• c: 24.6332 ± 0.0015 Å
• α: 99.229 ± 0.002°
• β: 92.209 ± 0.003°
• γ: 117.576 ± 0.004°
• Cell volume: 8901.2 ± 0.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.2892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No