Information card for entry 7228601

Structure parameters

• Formula: C39 H32 Ag B2 Cl3 F6 N4
• Calculated formula: C39 H32 Ag B2 Cl3 F6 N4
• Title of publication: Solvent and anion effects on the organization of a luminescent [2+2] BODIPY/Ag(I) metallamacrocycle in the crystalline state
• Authors of publication: Zhang, Fan; Baudron, Stéphane; Hosseini, Mir Wais
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 18.9253 ± 0.0008 Å
• b: 8.4818 ± 0.0004 Å
• c: 24.5491 ± 0.0011 Å
• α: 90°
• β: 101.466 ± 0.002°
• γ: 90°
• Cell volume: 3862 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1842
• Residual factor for significantly intense reflections: 0.1248
• Weighted residual factors for significantly intense reflections: 0.3275
• Weighted residual factors for all reflections included in the refinement: 0.3709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No