Information card for entry 7216593

Structure parameters

• Common name: [CuL3e]{BF2(OMe)2}(BF4)
• Chemical name: 1,2-Bis(amidino-O-ethylurea)ethanecopper(II) difluorodimethoxyborate tetrafluoroborate
• Formula: C12 H28 B2 Cu F6 N8 O4
• Calculated formula: C12 H28 B2 Cu F6 N8 O4
• SMILES: [Cu]123[N](CC[N]2=C(NC(=[NH]3)OCC)N)=C(NC(=[NH]1)OCC)N.[B](OC)(OC)(F)F.[B](F)(F)(F)[F-]
• Title of publication: Generation and structural characterisation of a difluorodimethoxyborate-mediated hydrogen-bonded supramolecular synthon
• Authors of publication: Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire
• Journal of publication: CrystEngComm
• Year of publication: 2002
• Journal volume: 4
• Journal issue: 108
• Pages of publication: 638
• a: 13.842 ± 0.003 Å
• b: 21.609 ± 0.004 Å
• c: 7.486 ± 0.002 Å
• α: 90°
• β: 93.653 ± 0.004°
• γ: 90°
• Cell volume: 2234.6 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0707
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No