Information card for entry 7109614

Structure parameters

• Formula: C101 H180 Cr7 Cu F8 N2 Ni O36
• Calculated formula: C101 H180 Cr7.04 Cu F8 N2 Ni1.04 O36
• 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: 17.015 ± 0.002 Å
• b: 28.096 ± 0.003 Å
• c: 32.391 ± 0.004 Å
• α: 70.065 ± 0.01°
• β: 87.592 ± 0.01°
• γ: 81.189 ± 0.01°
• Cell volume: 14384 ± 3 ų
• Cell temperature: 100 ± 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: 0.1992
• Residual factor for significantly intense reflections: 0.1238
• Weighted residual factors for significantly intense reflections: 0.2889
• Weighted residual factors for all reflections included in the refinement: 0.3381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No