Information card for entry 7009671

Structure parameters

• Formula: C13 H31 B2 Cu F8 N5
• Calculated formula: C13 H31 B2 Cu F8 N5
• Title of publication: Synthesis and characterisation of pendant-arm amino derivatives of 1,4,7-triazacyclononane and alkyl-bridged bis(1,4,7-triazacyclononane) macrocycles and complexation to Cu(II)
• Authors of publication: Blake, Alexander J.; Danks, Jonathan P.; Li, Wan-Sheung; Lippolis, Vito; Schröder, Martin
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 17
• Pages of publication: 3034
• a: 9.767 ± 0.004 Å
• b: 13.341 ± 0.006 Å
• c: 15.612 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2034.3 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No