Information card for entry 4310694

Structure parameters

• Common name: azidocopper(14ane) tetrafluoroborate
• Formula: C10 H20 B Cu F4 N7
• Calculated formula: C10 H24 B Cu F4 N7
• SMILES: [Cu]123([NH]4CCC[NH]1CC[NH]2CCC[NH]3CC4)N=N#N.[B](F)(F)(F)[F-]
• Title of publication: Structure of Two Azide Salts of a Copper(II) Macrocycle and Magnetic Properties of Cu(14ane)Cu(N3)4
• Authors of publication: Brooke Woodard; Roger D. Willett; Salim Haddad; Brendan Twamley; Carlos J. Gomez-Garcia; Eugenio Coronado
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 1822 - 1824
• a: 8.6375 ± 0.001 Å
• b: 13.9812 ± 0.0017 Å
• c: 14.089 ± 0.0017 Å
• α: 90°
• β: 99.71 ± 0.002°
• γ: 90°
• Cell volume: 1677 ± 0.3 ų
• Cell temperature: 566 ± 2 K
• Ambient diffraction temperature: 566 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No