Information card for entry 7048124

Structure parameters

• Formula: C37 H44 Ag2 B0 F3 N18 O6 S
• Calculated formula: C33 H34 Ag2 F3 N18 O5 S
• Title of publication: Multiple coordination modes of a new ditopic bis(pyrazolyl)methane-based ligand.
• Authors of publication: Coulton, John B.; Smith, Aramis C.; Wheeler, Kraig A.; Semeniuc, Radu F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 47
• Pages of publication: 17109 - 17121
• a: 12.2382 ± 0.0004 Å
• b: 27.6761 ± 0.001 Å
• c: 7.7791 ± 0.0003 Å
• α: 90°
• β: 113.565 ± 0.002°
• γ: 90°
• Cell volume: 2415.1 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 8
• Hermann-Mauguin space group symbol: C 1 m 1
• Hall space group symbol: C -2y
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No