Information card for entry 4319603

Structure parameters

• Formula: C15 H32 Cl4 Co N4 Zn
• Calculated formula: C15 H32 Cl4 Co N4 Zn
• SMILES: [Co]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: 14.0833 ± 0.0002 Å
• b: 11.9845 ± 0.0002 Å
• c: 12.6741 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2139.15 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0336
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for all reflections: 0.0818
• Weighted residual factors for significantly intense reflections: 0.08
• Goodness-of-fit parameter for all reflections: 1.027
• Goodness-of-fit parameter for significantly intense reflections: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No