Information card for entry 7228596

Structure parameters

• Formula: C81 H76 Ag2 As2 B2 F16 N8 O2
• Calculated formula: C81 H76 Ag2 As2 B2 F16 N8 O2
• 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: 15.0721 ± 0.0008 Å
• b: 15.6298 ± 0.0009 Å
• c: 17.039 ± 0.001 Å
• α: 90°
• β: 92.792 ± 0.002°
• γ: 90°
• Cell volume: 4009.2 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0742
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No