Information card for entry 7133106

Structure parameters

• Formula: C68 H60 Co2 N6 O19
• Calculated formula: C68 H60 Co2 N6 O19
• Title of publication: Mechanical bonding of rigid MORFs using a tetratopic rotaxane.
• Authors of publication: Saura-Sanmartin, Adrian; Cutillas-Font, Guillermo; Martinez-Cuezva, Alberto; Alajarin, Mateo; Esteban-Betegón, Fátima; Pena-Sánchez, Pilar; Gándara, Felipe; Berna, Jose
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 50
• Pages of publication: 6431 - 6434
• a: 16.795 ± 0.0009 Å
• b: 33.97 ± 0.002 Å
• c: 13.8988 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7929.6 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.11
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.2003
• Weighted residual factors for all reflections included in the refinement: 0.2519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No