Information card for entry 7111359

Structure parameters

• Formula: C12 H32 Cu F2 N4 O4
• Calculated formula: C12 H32 Cu F2 N4 O4
• SMILES: [F-].[C@@H]12C[C@@H](CC(C1)O)[NH2][Cu]1([NH2]2)[NH2][C@H]2C[C@H](CC(C2)O)[NH2]1.O.[F-].O
• Title of publication: Secondary coordination sphere controlled reversible geometry reorganisations in copper(ii) complexes
• Authors of publication: Fielden, John; Long, De-Liang; Cronin, Leroy
• Journal of publication: Chemical Communications
• Year of publication: 2004
• Journal issue: 19
• Pages of publication: 2156 - 2157
• a: 7.0993 ± 0.0002 Å
• b: 7.1315 ± 0.0002 Å
• c: 10.0059 ± 0.0003 Å
• α: 108.567 ± 0.001°
• β: 92.233 ± 0.001°
• γ: 112.912 ± 0.001°
• Cell volume: 434.56 ± 0.02 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0202
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.0522
• Weighted residual factors for all reflections included in the refinement: 0.0524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No