Information card for entry 7204849

Structure parameters

• Common name: (CuLm).2(BF4).2(Cytosine)
• Formula: C16 H28 B2 Cu F8 N14 O4
• Calculated formula: C16 H28 B2 Cu F8 N14 O4
• SMILES: [Cu]123[N](CC[N]2=C(NC(=[NH]3)OC)N)=C(NC(=[NH]1)OC)N.Nc1cc[nH]c(=O)n1.Nc1cc[nH]c(=O)n1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: Hydrogen-bonded binding of DNA pyrimidine bases to copper(ii) cations co-ordinated by polymethylene linked bis(amidino-O-alkylurea) ligands to form supramolecular architectures
• Authors of publication: Suksangpanya, Unchulee; Blake, Alexander J.; Hubberstey, Peter; Wilson, Claire
• Journal of publication: CrystEngComm
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 15
• Pages of publication: 70
• a: 7.182 ± 0.002 Å
• b: 12.055 ± 0.003 Å
• c: 16.888 ± 0.004 Å
• α: 95.19 ± 0.005°
• β: 99.573 ± 0.004°
• γ: 101.294 ± 0.005°
• Cell volume: 1402.4 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1275
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 0.861
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No