Information card for entry 7048127

Structure parameters

• Formula: C32 H34 Ag B3 F12 Fe N18 O2
• Calculated formula: C32 H34 Ag B3 F12 Fe N18 O2
• 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: 11.9228 ± 0.0005 Å
• b: 13.0749 ± 0.0005 Å
• c: 14.3672 ± 0.0006 Å
• α: 78.345 ± 0.002°
• β: 84.386 ± 0.002°
• γ: 81.075 ± 0.002°
• Cell volume: 2161.84 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0317
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No