Information card for entry 4319596

Structure parameters

• Formula: C12 H26 Br Cl Cu N4 O4
• Calculated formula: C12 H26 Br Cl Cu N4 O4
• Title of publication: Cobalt(II), Nickel(II), Copper(II), and Zinc(II) Complexes with [35]Adamanzane, 1,5,9,13-Tetraazabicyclo[7.7.3]nonadecane, and [(2.3)2.21]Adamanzane, 1,5,9,12-Tetraazabicyclo[7.5.2]hexadecane
• Authors of publication: Louise Broge; Ulla Pretzmann; Nicolai Jensen; Inger Søtofte; Carl Erik Olsen; Johan Springborg
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 2323 - 2334
• a: 8.498 ± 0.002 Å
• b: 22.952 ± 0.005 Å
• c: 8.948 ± 0.002 Å
• α: 90°
• β: 95.92 ± 0.03°
• γ: 90°
• Cell volume: 1736 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0797
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections: 0.1343
• Weighted residual factors for significantly intense reflections: 0.1281
• Goodness-of-fit parameter for all reflections: 1.183
• Goodness-of-fit parameter for significantly intense reflections: 1.237
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No