Information card for entry 7000017

Structure parameters

• Formula: C21 H31 Cl2 Cu N3 O12
• Calculated formula: C21 H31 Cl2 Cu N3 O12
• Title of publication: A study of the complexation and extraction of Cu(II) sulfate and Ni(II) sulfate by N3O2-donor macrocycles.
• Authors of publication: Gasperov, Vesna; Galbraith, Stuart G.; Lindoy, Leonard F.; Rumbel, Brendan R.; Skelton, Brian W.; Tasker, Peter A.; White, Allan H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 1
• Pages of publication: 139 - 145
• a: 16.921 ± 0.002 Å
• b: 10.601 ± 0.001 Å
• c: 16.233 ± 0.002 Å
• α: 90°
• β: 111.143 ± 0.002°
• γ: 90°
• Cell volume: 2715.8 ± 0.5 ų
• Cell temperature: 159 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.09
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for all reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections: 1.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.203
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No