Information card for entry 2205645

Structure parameters

• Chemical name: Bis[N-(2-aminoethyl)morpholine]copper(II) bis(tetrafluoroborate)
• Formula: C12 H28 B2 Cu F8 N4 O2
• Calculated formula: C12 H28 B2 Cu F8 N4 O2
• SMILES: [B](F)([F][Cu]12([N]3(CCOCC3)CC[NH2]1)([F][B](F)(F)F)[N]1(CCOCC1)CC[NH2]2)(F)F
• Title of publication: Bis[<i>N</i>-(2-aminoethyl)morpholine]copper(II) bis(tetrafluoroborate)
• Authors of publication: Sander, Ole; Tuczek, Felix; Näther, Christian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: m824 - m825
• a: 7.6461 ± 0.0006 Å
• b: 8.4018 ± 0.0007 Å
• c: 8.4258 ± 0.0007 Å
• α: 85.89 ± 0.01°
• β: 78.08 ± 0.01°
• γ: 69.757 ± 0.009°
• Cell volume: 496.9 ± 0.08 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes