Information card for entry 4113525

Structure parameters

• Formula: C34 H32 O P2 S
• Calculated formula: C34 H32 O P2 S
• SMILES: S(CCP(c1ccccc1)c1ccccc1)c1ccc(OCCP(c2ccccc2)c2ccccc2)cc1
• Title of publication: Stepwise Formation of Heterobimetallic Macrocycles Synthesized via the Weak-Link Approach
• Authors of publication: Adam H. Eisenberg; Maxim V. Ovchinnikov; Chad A. Mirkin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 2836 - 2837
• a: 5.6168 ± 0.0011 Å
• b: 16.076 ± 0.003 Å
• c: 17.651 ± 0.004 Å
• α: 64.339 ± 0.003°
• β: 81.984 ± 0.003°
• γ: 86.122 ± 0.004°
• Cell volume: 1422.5 ± 0.5 ų
• Cell temperature: 153.2 K
• Ambient diffraction temperature: 153.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1424
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for all reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections: 1.66
• Goodness-of-fit parameter for all reflections included in the refinement: 2.24
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No