Information card for entry 7703665

Structure parameters

• Formula: C36 H64 N11.5 O22.5 Re2.5
• Calculated formula: C36 H64 N11.5 O22.5 Re2.5
• Title of publication: Perrhenate and pertechnetate complexation by an azacryptand in nitric acid medium.
• Authors of publication: Thevenet, Alexiane; Marie, Cécile; Tamain, Christelle; Amendola, Valeria; Miljkovic, Ana; Guillaumont, Dominique; Boubals, Nathalie; Guilbaud, Philippe
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 5
• Pages of publication: 1446 - 1455
• a: 18.197 ± 0.0009 Å
• b: 16.7678 ± 0.0008 Å
• c: 17.77 ± 0.0009 Å
• α: 90°
• β: 107.426 ± 0.0014°
• γ: 90°
• Cell volume: 5173.2 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• 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: 0.0462
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0756
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No