Information card for entry 7121771

Structure parameters

• Formula: C112 H172 Cu7 N31 O89 P4
• Calculated formula: C112 H95 Cu7 N28 O49 P4
• Title of publication: Highly efficient temperature-dependent chiral separation with a nucleotide-based coordination polymer.
• Authors of publication: Bruno, Rosaria; Marino, Nadia; Bartella, Lucia; Di Donna, Leonardo; De Munno, Giovanni; Pardo, Emilio; Armentano, Donatella
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 49
• Pages of publication: 6356 - 6359
• a: 15.2378 ± 0.0011 Å
• b: 35.525 ± 0.003 Å
• c: 16.7521 ± 0.0012 Å
• α: 90°
• β: 95.389 ± 0.003°
• γ: 90°
• Cell volume: 9028.2 ± 1.2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0912
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.1932
• Weighted residual factors for all reflections included in the refinement: 0.2042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No