Information card for entry 7203233

Structure parameters

• Common name: AgBF4rev2
• Formula: C28 H28 Ag B F4 N4 O2 S2
• Calculated formula: C28 H28 Ag B F4 N4 O2 S2
• Title of publication: Anion-binding mode in a sulfanylphenyl urea complex: solid state symmetry breaking and solution chelation
• Authors of publication: Russell, Jennifer M.; Parker, Andrew D. M.; Radosavljevic-Evans, Ivana; Howard, Judith A. K.; Steed, Jonathan W.
• Journal of publication: CrystEngComm
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 2
• Pages of publication: 119
• a: 18.309 ± 0.003 Å
• b: 16.716 ± 0.003 Å
• c: 18.722 ± 0.003 Å
• α: 90°
• β: 91.812 ± 0.003°
• γ: 90°
• Cell volume: 5727.1 ± 1.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• 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: 0.2219
• Residual factor for significantly intense reflections: 0.1685
• Weighted residual factors for significantly intense reflections: 0.3604
• Weighted residual factors for all reflections included in the refinement: 0.3801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No