Information card for entry 7037737

Structure parameters

• Common name: Compound X
• Chemical name: [nPr2NH2][Cr7NiF8(O2C5H9)(O2CC4H3N2)]2[Cu2(O2C5H9)4]
• Formula: C192 H344 Cr14 Cu2 F16 N6 Ni2 O72
• Calculated formula: C192 H344 Cr14 Cu2 F16 N6 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: 60.7106 ± 0.0012 Å
• b: 16.7468 ± 0.0004 Å
• c: 30.4987 ± 0.0009 Å
• α: 90°
• β: 103.99 ± 0.0009°
• γ: 90°
• Cell volume: 30088.5 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.2378
• Residual factor for significantly intense reflections: 0.1339
• Weighted residual factors for significantly intense reflections: 0.3447
• Weighted residual factors for all reflections included in the refinement: 0.4096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.278
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No