Information card for entry 4060050

Structure parameters

• Formula: C144 H150 Hg2 N6 P6 Pt6
• Calculated formula: C144 H150 Hg2 N6 P6 Pt6
• SMILES: C1(=Nc2c(cccc2C)C)[Pt]2345[P](c6ccccc6)(c6ccccc6)CCCCCC[P]([Pt]6789C(=Nc%10c(cccc%10C)C)[Pt]%10%11%128C(=Nc8c(cccc8C)C)[Pt]89%12(C6=Nc6c(cccc6C)C)[P](CCCCCC[P]([Pt]6913C(=Nc1c(cccc1C)C)[Pt]59([Hg]26[Hg]7%118)(C4=Nc1c(cccc1C)C)[P](CCCCCC[P]%10(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 38.202 ± 0.004 Å
• b: 14.8735 ± 0.0011 Å
• c: 30.618 ± 0.003 Å
• α: 90°
• β: 115.632 ± 0.0011°
• γ: 90°
• Cell volume: 15685 ± 2.6 ų
• Cell temperature: 153.1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No