Information card for entry 2017651

Structure parameters

• Chemical name: <i>catena</i>-poly[4,4'-(ethane-1,2-diyl)dipyridinium bis[[aquadifluoridooxidovanadate]-μ-fluorido]]
• Formula: C12 H16 F6 N2 O4 V2
• Calculated formula: C12 H16 F6 N2 O4 V2
• SMILES: [V]([F][V](F)(F)(F)(=O)[OH2])(F)(F)(=O)[OH2].[nH+]1ccc(cc1)/C=C/c1cc[nH+]cc1
• Title of publication: A new chain structure: <i>catena</i>-poly[4,4'-(ethane-1,2-diyl)dipyridinium bis[[aquadifluoridooxidovanadate]-μ-fluorido]]
• Authors of publication: Aldous, David W.; Slawin, Alexandra M. Z.; Lightfoot, Philip
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: m130 - m132
• a: 3.7797 ± 0.0017 Å
• b: 10.362 ± 0.003 Å
• c: 11.297 ± 0.003 Å
• α: 62.92 ± 0.02°
• β: 82.3 ± 0.03°
• γ: 87.6 ± 0.04°
• Cell volume: 390.3 ± 0.2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes