Information card for entry 4311669

Structure parameters

• Common name: [La(H2O)4(pyridine-N-dioxide)0.5(p-sulfonatocalix[6]-arene)0.5].3H2O
• Formula: C26 H39 La N O23 S3
• Calculated formula: C26 H20 La N O23 S3
• Title of publication: Bilayers, Corrugated Bilayers, and Coordination Polymers of p-Sulfonatocalix[6]arene
• Authors of publication: Scott J. Dalgarno; Michaele J. Hardie; Jerry L. Atwood; Colin L. Raston
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 6351 - 6356
• a: 17.2709 ± 0.0002 Å
• b: 18.4511 ± 0.0003 Å
• c: 11.9992 ± 0.0003 Å
• α: 90°
• β: 108.716 ± 0.001°
• γ: 90°
• Cell volume: 3621.55 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0734
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1573
• Weighted residual factors for all reflections included in the refinement: 0.1618
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No