Information card for entry 4319604

Structure parameters

• Formula: C15 H32 Cl4 N4 Zn2
• Calculated formula: C15 H32 Cl4 N4 Zn2
• SMILES: [Zn]123[NH]4CCC[N]51CCC[NH]2CCC[N]3(CCC4)CCC5.[Zn](Cl)(Cl)([Cl-])[Cl-]
• 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: 14.067 ± 0.003 Å
• b: 11.916 ± 0.002 Å
• c: 12.6 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2112 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0246
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for all reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.0451
• Goodness-of-fit parameter for all reflections: 0.979
• Goodness-of-fit parameter for significantly intense reflections: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No