Information card for entry 7009751

Structure parameters

• Formula: C16 H38 Cl2 N6 O10 Zn
• Calculated formula: C16 H38 Cl2 N6 O10 Zn
• Title of publication: Synthesis, solution studies and structural characterisation of complexes of a mixed oxa‒aza macrocycle bearing pendant amino arms
• Authors of publication: Tei, Lorenzo; Blake, Alexander J.; Bencini, Andrea; Valtancoli, Barbara; Wilson, Claire; Schröder, Martin
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 22
• Pages of publication: 4122
• a: 9.273 ± 0.005 Å
• b: 13.154 ± 0.008 Å
• c: 20.692 ± 0.013 Å
• α: 90°
• β: 101.24 ± 0.05°
• γ: 90°
• Cell volume: 2476 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1348
• Residual factor for significantly intense reflections: 0.0755
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.213
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No