Information card for entry 7037727

Structure parameters

• Chemical name: [[nPr2NH2][Cr7NiF8(O2C5H9)(O2CC2H2C5H4N)]]2[Cu(NO3)2]
• Formula: C196 H352 Cr14 Cu F16 N6 Ni2 O78
• Calculated formula: C196 H346 Cr14 Cu F16 N6 Ni2 O78
• 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: 16.476 ± 0.0003 Å
• b: 25.5232 ± 0.0005 Å
• c: 33.692 ± 0.0005 Å
• α: 96.772 ± 0.001°
• β: 90.441 ± 0.001°
• γ: 105.705 ± 0.002°
• Cell volume: 13532.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1177
• Residual factor for significantly intense reflections: 0.0914
• Weighted residual factors for significantly intense reflections: 0.2327
• Weighted residual factors for all reflections included in the refinement: 0.252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No