Information card for entry 4309860

Structure parameters

• Formula: C66 H103 N3 O6 P4 Pt2
• Calculated formula: C66 H103 N3 O6 P4 Pt2
• SMILES: Cc1ccccc1.[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)(ON(=O)=O)c1cc2c(cc1)CCc1c2nc2c(c1c1cc(cc(C(C)(C)C)c1)C(C)(C)C)CCc1c2cc([Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)ON(=O)=O)cc1
• Title of publication: Self-Assembly of Rectangles and Prisms via a Molecular "Clip"
• Authors of publication: Kim, Duckhyun; Paek, Jong Hyub; Jun, Moo-Jin; Lee, Jin Yong; Kang, Sang Ook; Ko, Jaejung
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Journal issue: 22
• Pages of publication: 7886 - 7894
• a: 14.922 ± 0.002 Å
• b: 27.176 ± 0.004 Å
• c: 28 ± 0.004 Å
• α: 85.828 ± 0.003°
• β: 76.42 ± 0.003°
• γ: 76.017 ± 0.003°
• Cell volume: 10709 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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 all reflections: 0.272
• Residual factor for significantly intense reflections: 0.0963
• Weighted residual factors for significantly intense reflections: 0.1987
• Weighted residual factors for all reflections included in the refinement: 0.2623
• Goodness-of-fit parameter for all reflections included in the refinement: 0.904
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No