Information card for entry 7037718

Structure parameters

• Formula: C351 H626 Cr28 Cu2 F32 N12 Ni4 O142.5
• Calculated formula: C351 H626 Cr28 Cu2 F32 N12 Ni4 O142.5
• 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: 16.5633 ± 0.0006 Å
• b: 34.1024 ± 0.001 Å
• c: 48.3098 ± 0.0019 Å
• α: 83.302 ± 0.001°
• β: 87.756 ± 0.001°
• γ: 90.499 ± 0.003°
• Cell volume: 27078.3 ± 1.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.2643
• Residual factor for significantly intense reflections: 0.1399
• Weighted residual factors for significantly intense reflections: 0.3019
• Weighted residual factors for all reflections included in the refinement: 0.3331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.423
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No