Information card for entry 7059345

Structure parameters

• Formula: C18 H21 Br N3 O4 V
• Calculated formula: C18 H21 Br N3 O4 V
• Title of publication: Bioinspired catalysis and bromoperoxidase like activity of a multistimuli-responsive supramolecular metallogel: supramolecular assembly triggered by pi‒pi stacking and hydrogen bonding interactions
• Authors of publication: Kurbah, Sunshine Dominic; Lal, Ram A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 14
• Pages of publication: 5410 - 5418
• a: 8.371 ± 0.003 Å
• b: 22.101 ± 0.01 Å
• c: 22.37 ± 0.014 Å
• α: 90°
• β: 90.02°
• γ: 90°
• Cell volume: 4139 ± 4 ų
• Cell temperature: 297.3 ± 0.5 K
• Ambient diffraction temperature: 297.3 ± 0.5 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: 0.1944
• Residual factor for significantly intense reflections: 0.1056
• Weighted residual factors for significantly intense reflections: 0.2507
• Weighted residual factors for all reflections included in the refinement: 0.2989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No