Information card for entry 1551402

Structure parameters

• Formula: C448 H415 B7 F6 Fe6 N40 O15 P
• Calculated formula: C508.94 H401 B7.67 F6 Fe6 N40 O15 P
• Title of publication: A Star of David catenane
• Authors of publication: David A. Leigh; Robin G. Pritchard; Alexander J. Stephens
• Journal of publication: Nature Chemistry
• Year of publication: 2013
• Journal volume: 6
• Pages of publication: 978 - 982
• a: 35.1918 ± 0.0018 Å
• b: 47.1545 ± 0.0018 Å
• c: 33.4757 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 55551 ± 4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 55
• Hermann-Mauguin space group symbol: P b a m
• Hall space group symbol: -P 2 2ab
• Residual factor for all reflections: 0.2373
• Residual factor for significantly intense reflections: 0.1727
• Weighted residual factors for significantly intense reflections: 0.3425
• Weighted residual factors for all reflections included in the refinement: 0.3685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.586
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No