Information card for entry 7206509

Structure parameters

• Formula: C44 H67 N9 O16
• Calculated formula: C44 H67 N9 O16
• Title of publication: Inclusion of unique four-clawed crown-like nitrate‒water cluster [(NO3)6(H2O)6]6− anions into the inter-spaces of a 3D H‒bonded cationic net formed by a cationic calix[4]arene
• Authors of publication: Liu, Lei-Lei; Ren, Zhi-Gang; Wan, Li-Min; Ding, Hong-Ye; Lang, Jian-Ping
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 19
• Pages of publication: 5718
• a: 13.498 ± 0.003 Å
• b: 13.84 ± 0.003 Å
• c: 13.99 ± 0.003 Å
• α: 92.13 ± 0.03°
• β: 105.5 ± 0.03°
• γ: 101.33 ± 0.03°
• Cell volume: 2458.2 ± 1.1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1181
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.1772
• Weighted residual factors for all reflections included in the refinement: 0.2045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No