Information card for entry 2017883

Structure parameters

• Chemical name: aqua[2,6-bis(1-benzyl-1<i>H</i>-1,2,3-triazol-4- yl)pyridine](pyridine)(tetrafluoroborato)copper(II) tetrafluoroborate
• Formula: C28 H26 B2 Cu F8 N8 O
• Calculated formula: C28 H26 B2 Cu F8 N8 O
• Title of publication: 2,6-Bis(1-benzyl-1<i>H</i>-1,2,3-triazol-4-yl)pyridine and its octahedral copper complex
• Authors of publication: Danielraj, Paulraj; Varghese, Babu; Sankararaman, S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: m366 - m370
• a: 8.299 ± 0.0017 Å
• b: 12.956 ± 0.003 Å
• c: 14.52 ± 0.003 Å
• α: 88.56 ± 0.03°
• β: 84.76 ± 0.03°
• γ: 87.36 ± 0.03°
• Cell volume: 1552.7 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1157
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes