Information card for entry 4319601

Structure parameters

• Formula: C15 H32 Cl2 N4 Ni O8
• Calculated formula: C15 H32 Cl2 N4 Ni O8
• SMILES: [Ni]1234(OCl(=[O]1)(=O)=O)[NH]1CCC[N]52CCC[NH]3CCC[N]4(CCC1)CCC5.Cl(=O)(=O)(=O)[O-]
• 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: 10.1453 ± 0.0004 Å
• b: 13.9663 ± 0.0006 Å
• c: 14.5922 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2067.6 ± 0.15 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for all reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.0648
• Goodness-of-fit parameter for all reflections: 1.015
• Goodness-of-fit parameter for significantly intense reflections: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No