Information card for entry 7111358

Structure parameters

• Formula: C14 H38 Cu F2 N4 O5
• Calculated formula: C14 H38 Cu F2 N4 O5
• SMILES: [Cu]12(F)([NH2][C@H]3C[C@@H]([NH2]1)CC(O)C3)[NH2][C@@H]1C[C@H]([NH2]2)CC(O)C1.[F-].OC.OC.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: 10.241 ± 0.0002 Å
• b: 7.034 ± 0.0001 Å
• c: 14.9794 ± 0.0002 Å
• α: 90°
• β: 111.497 ± 0.001°
• γ: 90°
• Cell volume: 1003.98 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0224
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0516
• Weighted residual factors for all reflections included in the refinement: 0.0525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No