Information card for entry 7037731

Structure parameters

• Chemical name: [nPr2NH2][Cr7NiF8(O2C5H9)(O2CC5H4N)]2[ReCl(CO)3]
• Formula: C177 H310 Cl Cr14 F16 N4 Ni2 O67 Re
• Calculated formula: C177 H310 Cl Cr14 F16 N4 Ni2 O67 Re
• 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: 30.477 ± 0.005 Å
• b: 16.591 ± 0.003 Å
• c: 53.88 ± 0.008 Å
• α: 90°
• β: 99.48 ± 0.002°
• γ: 90°
• Cell volume: 26872 ± 8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2317
• Residual factor for significantly intense reflections: 0.156
• Weighted residual factors for significantly intense reflections: 0.3572
• Weighted residual factors for all reflections included in the refinement: 0.4004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No