Information card for entry 7012346

Structure parameters

• Formula: C33 H59 Cl N11 O25.5 Re5
• Calculated formula: C33 H56 Cl N11 O25.5 Re5
• Title of publication: Towards promising oxoanion extractants: azacages and open-chain counterparts
• Authors of publication: David Farrell; Karsten Gloe; Kerstin Gloe; Gudrun Goretzki; Vickie McKee; Jane Nelson; Mark Nieuwenhuyzen; Ibolya Pál; Holger Stephan; Raewyn M. Town; Kathrin Wichmann
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 10
• Pages of publication: 1961 - 1968
• a: 30.9119 ± 0.0018 Å
• b: 12.321 ± 0.0007 Å
• c: 27.4541 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10456.3 ± 1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1629
• Weighted residual factors for all reflections included in the refinement: 0.1695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No