Information card for entry 7224630

Structure parameters

• Formula: C168 H96 O195 S24 Tb8
• Calculated formula: C168 H96 O195 S24 Tb8
• 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: 16.504 ± 0.004 Å
• b: 23.227 ± 0.003 Å
• c: 38.406 ± 0.007 Å
• α: 73.798 ± 0.012°
• β: 80.363 ± 0.016°
• γ: 85.658 ± 0.015°
• Cell volume: 13932 ± 5 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: 0.1324
• Residual factor for significantly intense reflections: 0.0838
• Weighted residual factors for significantly intense reflections: 0.2125
• Weighted residual factors for all reflections included in the refinement: 0.2453
• Goodness-of-fit parameter for all reflections included in the refinement: 0.823
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No