Information card for entry 4060049

Structure parameters

• Formula: C147 H158 Hg2 N6 P6 Pt6
• Calculated formula: C147 H144 Hg2 N6 P6 Pt6
• SMILES: C1(=Nc2c(cccc2C)C)[Pt]2345C(=Nc6c(cccc6C)C)[Pt]6785C(=Nc5c(cccc5C)C)[Pt]5148[P](CCCCC[P]([Pt]1489C(=Nc%10c(cccc%10C)C)[Pt]%10%118(C(=Nc8c(cccc8C)C)[Pt]9%11(C1=Nc1c(cccc1C)C)([P](CCCCC[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Hg]4%10[Hg]375)[P](CCCCC[P]6(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.C(CC)CCC
• Title of publication: Cage-Type Hexanuclear Platinum(0) Clusters with Diphosphine and Isocyanide Ligands Encapsulating Two Mercury(0) Atoms
• Authors of publication: Tomoaki Tanase; Eri Goto; Hiroe Takenaka; Takashi Horiuchi; Yasuhiro Yamamoto; Junpei Kuwabara; Kohtaro Osakada
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Pages of publication: 234 - 244
• a: 16.571 ± 0.002 Å
• b: 15.024 ± 0.002 Å
• c: 34.088 ± 0.004 Å
• α: 90°
• β: 96.519 ± 0.006°
• γ: 90°
• Cell volume: 8431 ± 1 ų
• Cell temperature: 153.2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.2431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No