Information card for entry 7045886

Structure parameters

• Chemical name: Pentakis-[2,4,6-tri(pyrazol-1-yl)pyrimidine]-pentasilver(I)penta-tetrafluoroborate dinitromethane solvate
• Formula: C54 H46 Ag5 B5 F20 N34 O4
• Calculated formula: C52 H40 Ag5 B2 F8 N32
• Title of publication: Silver(i) complexes of bis- and tris-(pyrazolyl)azine derivatives - dimers, coordination polymers and a pentametallic assembly.
• Authors of publication: Capel Berdiell, Izar; Warriner, Stuart L.; Halcrow, Malcolm A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 15
• Pages of publication: 5269 - 5278
• a: 29.8766 ± 0.0006 Å
• b: 10.9444 ± 0.0002 Å
• c: 25.5649 ± 0.0008 Å
• α: 90°
• β: 115.208 ± 0.002°
• γ: 90°
• Cell volume: 7563.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1127
• Residual factor for significantly intense reflections: 0.087
• Weighted residual factors for significantly intense reflections: 0.2568
• Weighted residual factors for all reflections included in the refinement: 0.2701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.607
• Diffraction radiation wavelength: 0.6998 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No