Information card for entry 7040006

Structure parameters

• Formula: C182 H328 Cr14 F11 N3 Ni2 O71
• Calculated formula: C182 H328 Cr14.04 F11 N3 Ni2.04 O71
• Title of publication: Heterodimers of heterometallic rings.
• Authors of publication: Timco, Grigore; Marocchi, Simone; Garlatti, Elena; Barker, Claire; Albring, Morten; Bellini, Valerio; Manghi, Franca; McInnes, Eric J. L.; Pritchard, Robin G.; Tuna, Floriana; Wernsdorfer, Wolfgang; Lorusso, Giulia; Amoretti, Giuseppe; Carretta, Stefano; Affronte, Marco; Winpenny, Richard E. P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 42
• Pages of publication: 16610 - 16615
• a: 24.7231 ± 0.0004 Å
• b: 16.8366 ± 0.0003 Å
• c: 30.9698 ± 0.0007 Å
• α: 90°
• β: 94.202 ± 0.001°
• γ: 90°
• Cell volume: 12856.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1441
• Residual factor for significantly intense reflections: 0.1055
• Weighted residual factors for significantly intense reflections: 0.2418
• Weighted residual factors for all reflections included in the refinement: 0.2656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.292
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No