Information card for entry 2017872

Structure parameters

• Chemical name: poly[bis[μ~4~-1,2-bis(1,2,4-triazol-4-yl)ethane]di-μ~2~-fluorido-\ tetrafluoridodi-μ~2~-oxido-dicopper(I)divanadium(IV)]
• Formula: C12 H16 Cu2 F6 N12 O2 V2
• Calculated formula: C12 H16 Cu2 F6 N12 O2 V2
• Title of publication: A three-dimensional heterometallic Cu^I^/V^IV^ 1,2-bis(1,2,4-triazol-4-yl)ethane framework: a new insight into the structure of vanadium oxyfluoride coordination hybrids
• Authors of publication: Sharga, Olena V.; Lysenko, Andrey B.; Krautscheid, Harald; Domasevitch, Konstantin V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: m269 - m272
• a: 6.163 ± 0.0006 Å
• b: 13.7698 ± 0.001 Å
• c: 12.4856 ± 0.0011 Å
• α: 90°
• β: 101.37 ± 0.008°
• γ: 90°
• Cell volume: 1038.77 ± 0.16 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• 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: 0.0316
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.067
• Weighted residual factors for all reflections included in the refinement: 0.0684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes