Information card for entry 7027779

Structure parameters

• Chemical name: (2,9-dimethyl-1,10-phenanthroline)(2-cyanoguanidine)copper(I) tetrafluoroborate ether adduct (2/1)
• Formula: C18 H21 B Cu F4 N6 O0.5
• Calculated formula: C18 H21 B Cu F4 N6 O0.5
• Title of publication: The role of π–π stacking interactions in stabilising trigonal planar copper(I) in Cu(BF4)–2,9-dimethyl-1,10-phenanthroline–nitrile systems†
• Authors of publication: Blake, Alexander J.; Hubberstey, Peter; Li, Wan-Sheung; Quinlan, Daniel J.; Russell, Claire E.; Sampson, Claire L.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 23
• Pages of publication: 4261
• a: 16.547 ± 0.005 Å
• b: 19.404 ± 0.012 Å
• c: 13.657 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4385 ± 3 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1335
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections: 0.1411
• Weighted residual factors for significantly intense reflections: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2031
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No