Information card for entry 7047425

Structure parameters

• Formula: C14 H30 Bi N4 O9.5
• Calculated formula: C14 H29 Bi N4 O9.5
• Title of publication: On the consequences of the stereochemical activity of the Bi(iii) 6s² lone pair in cyclen-based complexes. The [Bi(DO3A)] case.
• Authors of publication: Pujales-Paradela, Rosa; Rodríguez-Rodríguez, Aurora; Gayoso-Padula, Antonella; Brandariz, Isabel; Valencia, Laura; Esteban-Gómez, David; Platas-Iglesias, Carlos
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 39
• Pages of publication: 13830 - 13842
• a: 7.9658 ± 0.0004 Å
• b: 9.4955 ± 0.0005 Å
• c: 26.0125 ± 0.0014 Å
• α: 90°
• β: 95.157 ± 0.002°
• γ: 90°
• Cell volume: 1959.6 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0318
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.223
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No