Information card for entry 2012493

Structure parameters

• Chemical name: [(1,4,8,11-tetraazacyclotetradeca-1,4,8,11-tetrayl)tetraacetamide- κ^6^N^1^,N^4^,N^8^,N^11^,O^1^,O^8^]copper(II) sulfate 4.5-hydrate
• Formula: C18 H45 Cu N8 O12.5 S
• Calculated formula: C18 H45 Cu N8 O12.5 S
• Title of publication: [(1,4,8,11-Tetraazacyclotetradeca-1,4,8,11-tetrayl)tetraacetamide-κ^6^<i>N</i>^1^,<i>N</i>^4^,<i>N</i>^8^,<i>N</i>^11^,<i>O</i>^1^,<i>O</i>^8^]copper(II) sulfate 4.5-hydrate
• Authors of publication: Espinosa, Enrique; Meyer, Michel; Berard, David; Guilard, Roger
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 2
• Pages of publication: m119 - m121
• a: 18.8609 ± 0.0003 Å
• b: 15.4691 ± 0.0004 Å
• c: 11.601 ± 0.0002 Å
• α: 90°
• β: 123.145 ± 0.009°
• γ: 90°
• Cell volume: 2834 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes