Information card for entry 7151890

Structure parameters

• Formula: C205 H292 N16 O P12 Pt6
• Calculated formula: C205 H292 N16 O P12 Pt6
• SMILES: [Pt]1([P](CC)(CC)CC)([P](CC)(CC)CC)C#Cc2ccc(C=NCCN3CCN=Cc4ccc(C#C[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)C#Cc5ccc(C=NCCN6CCN=Cc7ccc(C#C[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)C#Cc8ccc(C=NCCN(CCN=Cc9ccc(C#C1)cc9)CCN=Cc1ccc(C#C[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)C#Cc9ccc(C=NCCN(CCN=Cc%10ccc(C#C[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)C#Cc%11ccc(C=NCC3)cc%11)cc%10)CCN=Cc3ccc(cc3)C#C[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)C#Cc3ccc(cc3)C=NCC6)cc9)cc1)cc8)cc7)cc5)cc4)cc2.OC
• Title of publication: Changing the volume of a giant macrocycle: the swelling of the macrocycle with organic solvents.
• Authors of publication: Harano, Aya; Tanaka, Minako; Nakagaki, Takeshi; Annaka, Masahiko; Ideta, Keiko; Goto, Kenta; Shinmyozu, Teruo
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 10
• Pages of publication: 3611 - 3614
• a: 21.913 ± 0.003 Å
• b: 23.156 ± 0.003 Å
• c: 23.85 ± 0.004 Å
• α: 93.385 ± 0.006°
• β: 108.751 ± 0.006°
• γ: 95.706 ± 0.005°
• Cell volume: 11349 ± 3 ų
• Cell temperature: 133 K
• Ambient diffraction temperature: 133 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.2755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No