Information card for entry 7038565

Structure parameters

• Formula: C30 H33 Br N7 Na O12
• Calculated formula: C30 H33 Br N7 Na O12
• Title of publication: Ion pair complexes and anion binding in the solution of a ditopic receptor.
• Authors of publication: Mäkelä, T; Rissanen, K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 15
• Pages of publication: 6481 - 6490
• a: 9.4682 ± 0.0003 Å
• b: 12.1247 ± 0.0003 Å
• c: 16.1742 ± 0.0005 Å
• α: 72.838 ± 0.003°
• β: 87.307 ± 0.002°
• γ: 87.437 ± 0.002°
• Cell volume: 1771.22 ± 0.09 ų
• Cell temperature: 123.01 ± 0.1 K
• Ambient diffraction temperature: 123.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0324
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No