Information card for entry 7228597

Structure parameters

• Formula: C78 H64 Ag2 B2 Cl8 F4 N8 O8
• Calculated formula: C78 H64 Ag2 B2 Cl8 F4 N8 O8
• 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: 10.2626 ± 0.0005 Å
• b: 19.2729 ± 0.001 Å
• c: 21.5355 ± 0.0011 Å
• α: 112.493 ± 0.002°
• β: 91.099 ± 0.002°
• γ: 92.32 ± 0.002°
• Cell volume: 3929.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1646
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1677
• Weighted residual factors for all reflections included in the refinement: 0.2037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No