Information card for entry 4319854

Structure parameters

• Formula: C16 H35 Br4 Co N4 O4 Zn
• Calculated formula: C16 H33 Br4 Co N4 O4 Zn
• SMILES: [Zn](Br)(Br)([Br-])[Br-].[Co]1234(OC(=[O]1)O)[NH]1CCC[N]53CCC[NH]4CCC[N]2(CCC1)CCC5.O
• Title of publication: Cobalt(III) Complexes of [35]Adamanzane, 1,5,9,13-Tetraazabicyclo[7.7.3]nonadecane. Report of an Inert, Chelate Hydrogen Carbonate Ion
• Authors of publication: Louise Broge; Inger Søtofte; Carl Erik Olsen; Johan Springborg
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 3124 - 3129
• a: 8.919 ± 0.002 Å
• b: 15.782 ± 0.003 Å
• c: 9.021 ± 0.002 Å
• α: 90°
• β: 103.06 ± 0.03°
• γ: 90°
• Cell volume: 1236.9 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0898
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections: 0.164
• Weighted residual factors for significantly intense reflections: 0.1526
• Goodness-of-fit parameter for all reflections: 1.003
• Goodness-of-fit parameter for significantly intense reflections: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No