Information card for entry 7122957

Structure parameters

• Formula: C852 H1272 Co4 Cr42 F48 Fe8 N18 Ni6 O256
• Calculated formula: C852 Co4 Cr42 F48 Fe8 N18 Ni6 O256
• Title of publication: Formation of an Interlocked Double-Chain from an Organic-Inorganic [2]Rotaxane
• Authors of publication: Ferrando-Soria, Jesus; Fernandez, Antonio; Vitorica-Yrzebal, Inigo; Asthana, Deepak; Muryn, Christopher; Tuna, Floriana; Timco, Grigore A.; Winpenny, Richard E. P.
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 30.4435 ± 0.001 Å
• b: 41.9494 ± 0.0012 Å
• c: 61.4182 ± 0.0019 Å
• α: 70.698 ± 0.003°
• β: 78.434 ± 0.003°
• γ: 83.927 ± 0.003°
• Cell volume: 72458 ± 4 ų
• Cell temperature: 240 K
• Ambient diffraction temperature: 240 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3055
• Residual factor for significantly intense reflections: 0.2248
• Weighted residual factors for significantly intense reflections: 0.5005
• Weighted residual factors for all reflections included in the refinement: 0.5684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.53
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.6889 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No