Information card for entry 7037725

Structure parameters

• Chemical name: [nPr2NH2][Cr7NiF8(O2C5H9)(O2CC4H3N2)]
• Formula: C86 H154 Cr7 F8 N3 Ni O32
• Calculated formula: C86 H154 Cr7 F8 N3 Ni O32
• 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: 25.4134 ± 0.0006 Å
• b: 16.6467 ± 0.0004 Å
• c: 31.7318 ± 0.0007 Å
• α: 90°
• β: 108.992 ± 0.002°
• γ: 90°
• Cell volume: 12693.4 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1504
• Residual factor for significantly intense reflections: 0.1296
• Weighted residual factors for significantly intense reflections: 0.3263
• Weighted residual factors for all reflections included in the refinement: 0.3419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No