Information card for entry 7037719

Structure parameters

• Formula: C184 H318 Cr14 F22 N4 Ni3 O68
• Calculated formula: C184 H318 Cr14 F22 N4 Ni3 O68
• Title of publication: Synthesis and reactions of N-heterocycle functionalised variants of heterometallic {Cr7Ni} rings.
• Authors of publication: Whitehead, George F. S.; Ferrando-Soria, Jesús; Carthy, Laura; Pritchard, Robin G.; Teat, Simon J.; Timco, Grigore A.; Winpenny, Richard E. P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 4
• Pages of publication: 1638 - 1647
• a: 60.078 ± 0.003 Å
• b: 16.6492 ± 0.0007 Å
• c: 30.617 ± 0.002 Å
• α: 90°
• β: 111.154 ± 0.007°
• γ: 90°
• Cell volume: 28561 ± 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: 0.1661
• Residual factor for significantly intense reflections: 0.0913
• Weighted residual factors for significantly intense reflections: 0.2308
• Weighted residual factors for all reflections included in the refinement: 0.2781
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No