Information card for entry 7015839

Structure parameters

• Formula: C21 H53.5 Cu N10 Na O30 P2
• Calculated formula: C21 H53.635 Cu N10 Na O30 P2
• SMILES: [Cu]([n]1cn(c2c1C(=O)NC(=N2)N)[C@H]1[C@@H]([C@@H]([C@@H](COP(=O)([O-])[O-])O1)O)O)([n]1cn(c2c1C(=O)NC(=N2)N)[C@H]1[C@H]2[C@@H]([C@@H](COP(=O)([O-])[O-])O1)[OH][Na]([OH]2)([OH2])([OH2])([OH2])[OH2])([OH2])([OH2])[OH2].CO.O.O.O.O.O.O
• Title of publication: Chirality delivery from a chiral copper(II) nucleotide complex molecule to its supramolecular architecture.
• Authors of publication: Zhou, Pei; Li, Hui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 18
• Pages of publication: 4834 - 4837
• a: 14.842 ± 0.003 Å
• b: 8.6829 ± 0.0015 Å
• c: 16.272 ± 0.003 Å
• α: 90°
• β: 93.973 ± 0.003°
• γ: 90°
• Cell volume: 2092 ± 0.7 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No