Information card for entry 7100690

Structure parameters

• Formula: C54 H64 N14 Ni O14
• Calculated formula: C54 H60 N14 Ni O14
• SMILES: c1c(ccc[n]1[Ni]([n]1cc(ccc1)NC(=O)Nc1ccc(cc1)C)([n]1cc(NC(=O)Nc2ccc(cc2)C)ccc1)([n]1cc(NC(=O)Nc2ccc(cc2)C)ccc1)([OH2])[OH2])NC(=O)Nc1ccc(cc1)C.N(=O)(=O)[O-].OC.N(=O)(=O)[O-].OC
• Title of publication: Simultaneous anion and cation binding by a simple polymer-bound ureidopyridyl ligand
• Authors of publication: Jonathan Steed; J. Howard; Andrew D.M. Parker; Ivana Radosavljevic-Evans; J.M.Russell
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 8.8731 ± 0.0012 Å
• b: 12.7159 ± 0.0018 Å
• c: 13.7082 ± 0.0019 Å
• α: 71.814 ± 0.003°
• β: 76.228 ± 0.003°
• γ: 74.062 ± 0.003°
• Cell volume: 1393.2 ± 0.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No