Information card for entry 2212518

Structure parameters

• Chemical name: trans-bis(ethylenediamine)bis(trifluoroacetate)copper(II)
• Formula: C8 H16 Cu F6 N4 O4
• Calculated formula: C8 H16 Cu F6 N4 O4
• SMILES: C1C[NH2][Cu]2([NH2]1)[NH2]CC[NH2]2.C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-]
• Title of publication: <i>trans</i>-Bis(ethylenediamine)bis(trifluoroacetato)copper(II)
• Authors of publication: Karpova, Elena V.; Zakharov, Maxim A.; Gutnikov, Sergey I.; Boltalin, Alexandr I.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: m658 - m659
• a: 16.865 ± 0.016 Å
• b: 9.363 ± 0.008 Å
• c: 11.369 ± 0.009 Å
• α: 90°
• β: 126.06 ± 0.05°
• γ: 90°
• Cell volume: 1451 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0469
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes