Information card for entry 1519442

Structure parameters

• Formula: C68 H87 Cl5 Cu5 N16 O48 P2
• Calculated formula: C68 H87 Cl5 Cu5 N16 O48 P2
• 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: 16.4315 ± 0.0012 Å
• b: 18.87 ± 0.0014 Å
• c: 30.286 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9390.5 ± 1.2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.0723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No