Information card for entry 4314122

Structure parameters

• Formula: C39 H74 Cl2 Cu3 N9 O16.5 P2
• Calculated formula: C39 H73 Cl2 Cu3 N9 O19 P2
• Title of publication: Macrocyclic Copper(II) and Zinc(II) Complexes Incorporating Phosphate Esters
• Authors of publication: Fiona H. Fry; Paul Jensen; Christopher M. Kepert; Leone Spiccia
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 5637 - 5644
• a: 9.8053 ± 0.0002 Å
• b: 12.9068 ± 0.0002 Å
• c: 22.1132 ± 0.0003 Å
• α: 98.636 ± 0.001°
• β: 99.546 ± 0.001°
• γ: 101.173 ± 0.0008°
• Cell volume: 2658.98 ± 0.08 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0402
• Goodness-of-fit parameter for significantly intense reflections: 2.193
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No