Information card for entry 7710126

Structure parameters

• Formula: C6 H23 B18 Cs Fe I2 N
• Calculated formula: C6 H23 B18 Cs Fe I2 N
• Title of publication: Water soluble organometallic small molecules as promising antibacterial agents: synthesis, physical–chemical properties and biological evaluation to tackle bacterial infections
• Authors of publication: Bennour, Ines; Ramos, M. Núria; Nuez-Martínez, Miquel; Xavier, Jewel Ann Maria; Buades, Ana B.; Sillanpää, Reijo; Teixidor, Francesc; Choquesillo-Lazarte, Duane; Romero, Isabel; Martinez-Medina, Margarita; Viñas, Clara
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 21.9678 ± 0.0007 Å
• b: 12.5135 ± 0.0004 Å
• c: 8.9201 ± 0.0003 Å
• α: 90°
• β: 105.422 ± 0.001°
• γ: 90°
• Cell volume: 2363.79 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.65 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1347
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.82652 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No