Information card for entry 7133816

Structure parameters

• Common name: [Cr7Ni(O2CBu)16][Cu2(O2CBu)4]2(N5O4C26H24)
• Formula: C178 H302.48 Cr7 Cu4 F8 N6 Ni O59.88
• Calculated formula: C178 H302.476 Cr7 Cu4 F8 N6 Ni O59.875
• Title of publication: One-, two- and three-dimensional interlocked polymers based on hybrid inorganic-organic rotaxanes.
• Authors of publication: Lockyer, Selena J.; Whitehead, George F. S.; Timco, Grigore A.; McInnes, Eric J. L.; Winpenny, Richard E. P.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 74
• Pages of publication: 10124 - 10127
• a: 35.2731 ± 0.0004 Å
• b: 16.6464 ± 0.0002 Å
• c: 37.7375 ± 0.0005 Å
• α: 90°
• β: 94.682 ± 0.001°
• γ: 90°
• Cell volume: 22084.4 ± 0.5 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 8
• 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: 0.1018
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.2109
• Weighted residual factors for all reflections included in the refinement: 0.2267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No