Information card for entry 4346483

Structure parameters

• Formula: C30 H34 I K N6 O12
• Calculated formula: C30 H34 I K N6 O12
• Title of publication: Cooperatively enhanced ion pair binding with a hybrid receptor.
• Authors of publication: Mäkelä, Toni; Kalenius, Elina; Rissanen, Kari
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 18
• Pages of publication: 9154 - 9165
• a: 11.79438 ± 0.00014 Å
• b: 8.89906 ± 0.0001 Å
• c: 32.8978 ± 0.0004 Å
• α: 90°
• β: 97.811 ± 0.0011°
• γ: 90°
• Cell volume: 3420.88 ± 0.07 ų
• Cell temperature: 123.01 ± 0.1 K
• Ambient diffraction temperature: 123.01 ± 0.1 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: 0.0337
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No