Information card for entry 7109611

Structure parameters

• Formula: C108 H184 Cr7 Cu2 F8 N3 Ni O40
• Calculated formula: C108 H184 Cr7 Cu2 F8 N3 Ni O40
• 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: 30.6539 ± 0.0011 Å
• b: 16.5114 ± 0.0005 Å
• c: 35.97 ± 0.0011 Å
• α: 90°
• β: 111.244 ± 0.002°
• γ: 90°
• Cell volume: 16968.7 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1575
• Residual factor for significantly intense reflections: 0.119
• Weighted residual factors for significantly intense reflections: 0.3452
• Weighted residual factors for all reflections included in the refinement: 0.372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.531
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No