Information card for entry 2006053

Structure parameters

• Chemical name: tran-Bis(4-amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole-N^1^, N')copper(II) tetrafluoroborate
• Formula: C24 H20 B2 Cu F8 N12
• Calculated formula: C24 H20 B2 Cu F8 N12
• Title of publication: <i>trans</i>-Bis[4-amino-3,5-bis(2-pyridyl)-1,2,4-triazole-<i>N</i>^1^,<i>N</i>']copper(II) Bis(tetrafluoroborate)
• Authors of publication: Jircitano, A. J.; Sommerer, S. O.; Abboud, K. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 4
• Pages of publication: 434 - 436
• a: 8.814 ± 0.002 Å
• b: 9.742 ± 0.002 Å
• c: 16.516 ± 0.003 Å
• α: 90°
• β: 99.65 ± 0.03°
• γ: 90°
• Cell volume: 1398.1 ± 0.5 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0895
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections: 0.169
• Weighted residual factors for significantly intense reflections: 0.1467
• Goodness-of-fit parameter for all reflections: 1.043
• Goodness-of-fit parameter for significantly intense reflections: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No