Information card for entry 2210887

Structure parameters

• Chemical name: (1,4,10,13-Tetraoxa-7,16-diazacyclooctadecane-7,16-diacetato)cobalt(II)
• Formula: C16 H28 Co N2 O8
• Calculated formula: C16 H28 Co N2 O8
• SMILES: C1[N]23CC(=O)O[Co]42[N](CCOCCOC1)(CCOCCOCC3)CC(=O)O4
• Title of publication: (1,4,10,13-Tetraoxa-7,16-diazacyclooctadecane-7,16-diacetato)cobalt(II)
• Authors of publication: Duriska, Martin B.; Batten, Stuart R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m2928 - m2929
• a: 6.8973 ± 0.0005 Å
• b: 7.5264 ± 0.0005 Å
• c: 9.1052 ± 0.0007 Å
• α: 79.851 ± 0.002°
• β: 69.746 ± 0.002°
• γ: 86.44 ± 0.002°
• Cell volume: 436.5 ± 0.05 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0259
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections included in the refinement: 0.0576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes