Information card for entry 7133814

Structure parameters

• Common name: [Cr7Ni(O2CBu)16][Cu2(O2CBu)4](N3O2SC21H22)
• Formula: C325 H504 Cr14 Cu4 F16 N6 Ni2 O86 S2
• Calculated formula: C293.5 H468 Cr14 Cu4 F16 N6 Ni2 O86 S2
• 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: 16.506 ± 0.0004 Å
• b: 34.2036 ± 0.0011 Å
• c: 35.1533 ± 0.001 Å
• α: 80.444 ± 0.002°
• β: 88.909 ± 0.002°
• γ: 85.438 ± 0.002°
• Cell volume: 19508.6 ± 1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1366
• Residual factor for significantly intense reflections: 0.1014
• Weighted residual factors for significantly intense reflections: 0.2826
• Weighted residual factors for all reflections included in the refinement: 0.3093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No