Information card for entry 7037734

Structure parameters

• Chemical name: [nPr2NH2][Cr7NiF8(O2C5H9)(O2CC5H4N)]2[Ru2(O2C5H9)4]
• Formula: C196 H348 B Cl6 Cr14 F20 N4 Ni2 O72 Ru2
• Calculated formula: C196 H348 Cl6 Cr14 F16 N4 Ni2 O72 Ru2
• 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: 61.551 ± 0.003 Å
• b: 17.0854 ± 0.0005 Å
• c: 30.5948 ± 0.0008 Å
• α: 90°
• β: 104.182 ± 0.004°
• γ: 90°
• Cell volume: 31194 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 10
• 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: 0.1151
• Residual factor for significantly intense reflections: 0.0816
• Weighted residual factors for significantly intense reflections: 0.2307
• Weighted residual factors for all reflections included in the refinement: 0.2659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No