Information card for entry 7037728

Structure parameters

• Chemical name: [nPr2NH2][Cr7NiF8(O2C5H9)(O2CC5H4N)]2[Cu(hfac)2]
• Formula: C184 H312 Cr14 Cu F28 N4 Ni2 O68
• Calculated formula: C184 H312 Cr14 Cu F28 N4 Ni2 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: 16.4384 ± 0.0006 Å
• b: 16.7162 ± 0.0006 Å
• c: 26.8666 ± 0.0012 Å
• α: 99.15 ± 0.003°
• β: 98.927 ± 0.003°
• γ: 112.035 ± 0.002°
• Cell volume: 6567.5 ± 0.5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0993
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1902
• Weighted residual factors for all reflections included in the refinement: 0.2098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No