Information card for entry 7250144

Structure parameters

• Formula: C60 H68 Ag2 B4 F12 N24 O4 P2
• Calculated formula: C60 H68 Ag2 B4 F12 N24 O4 P2
• Title of publication: Structural tuning of tetrazole-BODIPY Ag(i) coordination compounds <i>via</i> co-ligand addition and counterion variation.
• Authors of publication: Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Hametner, Christian; Weinberger, Peter
• Journal of publication: CrystEngComm
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 17
• Pages of publication: 2689 - 2697
• a: 4.8187 ± 0.001 Å
• b: 18.098 ± 0.004 Å
• c: 20.308 ± 0.004 Å
• α: 77.995 ± 0.006°
• β: 89.089 ± 0.006°
• γ: 85.412 ± 0.006°
• Cell volume: 1726.8 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1026
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No