Information card for entry 7109612

Structure parameters

• Formula: C376 H600 Cr28 Cu3 F32 N30 Ni4 O148
• Calculated formula: C376 H600 Cr28 Cu3 F32 N30 Ni4 O148
• 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: 16.181 ± 0.0004 Å
• b: 28.3116 ± 0.0006 Å
• c: 33.5398 ± 0.0007 Å
• α: 96.992 ± 0.002°
• β: 102.583 ± 0.002°
• γ: 93.852 ± 0.002°
• Cell volume: 14814.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction 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: 0.1154
• Residual factor for significantly intense reflections: 0.1
• Weighted residual factors for significantly intense reflections: 0.3133
• Weighted residual factors for all reflections included in the refinement: 0.3434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.321
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No