Information card for entry 1519443

Structure parameters

• Formula: C219 H238.34 Cu15 F45 N48 O117.67 P6 S15
• Calculated formula: C219 H207 Cu15 F45 N48 O117.666 P6 S15
• Title of publication: Homochiral self-assembly of biocoordination polymers: anion-triggered helicity and absolute configuration inversion
• Authors of publication: Marino, Nadia; Armentano, Donatella; Pardo, Emilio; Vallejo, Julia; Neve, Francesco; Di Donna, Leonardo; De Munno, Giovanni
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 7
• Pages of publication: 4300
• a: 17.821 ± 0.002 Å
• b: 49.945 ± 0.005 Å
• c: 18.529 ± 0.002 Å
• α: 90°
• β: 108.269 ± 0.006°
• γ: 90°
• Cell volume: 15661 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1454
• Weighted residual factors for all reflections included in the refinement: 0.1564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No