Information card for entry 7115258

Structure parameters

• Common name: Cu-BNP-CH3CN-BF4, Nr. 0946
• Chemical name: 2,2'-Di(1,6-naphthyridine)-acetonitrile-copper(I)tetrafluoroborate dichloromethane (2:1)
• Formula: C18.5 H14 B Cl Cu F4 N5
• Calculated formula: C18.5 H14 B Cl Cu F4 N5
• Title of publication: 2,2′-Bi-1,6-naphthyridine metal complexes: a new ligand and a novel 2 ×2 inclined interpenetration of (4,4) nets or formation of helicoidal chains†
• Authors of publication: Wu, He-Ping; Janiak, Christoph; Uehlin, Lars; Klüfers, Peter; Mayer, Peter
• Journal of publication: Chemical Communications
• Year of publication: 1998
• Journal issue: 23
• Pages of publication: 2637
• a: 22.4063 ± 0.0016 Å
• b: 8.1045 ± 0.0004 Å
• c: 22.5896 ± 0.0018 Å
• α: 90°
• β: 100.771 ± 0.009°
• γ: 90°
• Cell volume: 4029.8 ± 0.5 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• 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: 0.0551
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No