Information card for entry 7109610

Structure parameters

• Formula: C205 H340 Cr14 Cu2 F16 N10 Ni2 O78
• Calculated formula: C205 H340 Cr14 Cu2 F16 N10 Ni2 O78
• Title of publication: Rings and threads as linkers in metal-organic frameworks and poly-rotaxanes
• Authors of publication: George F. S. Whitehead; Bryony Cross; Laura Carthy; Victoria A. Milway; Harapriya Rath; Antonio Fernandez; Sarah L. Heath; Christopher A. Muryn; Robin G. Pritchard; Simon J. Teat; Grigore A. Timco; Richard E. P. Winpenny
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 7195
• a: 16.9352 ± 0.0006 Å
• b: 29.4007 ± 0.0011 Å
• c: 29.414 ± 0.0013 Å
• α: 90°
• β: 90.834 ± 0.003°
• γ: 90°
• Cell volume: 14643.9 ± 1 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 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: 0.1231
• Residual factor for significantly intense reflections: 0.1063
• Weighted residual factors for significantly intense reflections: 0.2425
• Weighted residual factors for all reflections included in the refinement: 0.2526
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No