Information card for entry 7037733

Structure parameters

• Chemical name: [nPr2NH2][Cr7NiF8(O2C5H9)(O2CC5H4N)]2[Co2(O2C5H9)4]
• Formula: C194 H346 Co2 Cr14 F16 N4 Ni2 O72
• Calculated formula: C194 H346 Co2 Cr14 F16 N4 Ni2 O72
• 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: 58.317 ± 0.006 Å
• b: 58.317 ± 0.006 Å
• c: 16.7336 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 56909 ± 10 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1616
• Residual factor for significantly intense reflections: 0.0791
• Weighted residual factors for significantly intense reflections: 0.1892
• Weighted residual factors for all reflections included in the refinement: 0.225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No