Information card for entry 7224631

Structure parameters

• Formula: C29 H32 Cl2 O23 S4
• Calculated formula: C29 H32 Cl2 O23 S4
• Title of publication: Synthesis, structures and cytotoxicity studies of p-sulfonatocalix[4]arene lanthanide complexes
• Authors of publication: Miller-Shakesby, David M.; Burke, Benjamin P.; Nigam, Shubhanchi; Stasiuk, Graeme J.; Prior, Timothy J.; Archibald, Stephen J.; Redshaw, Carl
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 26
• Pages of publication: 4977
• a: 11.9482 ± 0.001 Å
• b: 12.3059 ± 0.0008 Å
• c: 15.2457 ± 0.0012 Å
• α: 68.694 ± 0.005°
• β: 77.073 ± 0.006°
• γ: 89.16 ± 0.006°
• Cell volume: 2030 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1462
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1521
• Weighted residual factors for all reflections included in the refinement: 0.176
• Goodness-of-fit parameter for all reflections included in the refinement: 0.828
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No