Information card for entry 7007930

Structure parameters

• Formula: C16 H13 Cu F2 N3 O5 P V
• Calculated formula: C16 H13 Cu F2 N3 O5 P V
• Title of publication: Solid state coordination chemistry of metal oxides: structural consequences of fluoride incorporation into the oxovanadium-copper-bisterpy-{O3P(CH2)nPO3}4- system, n= 1-5 (bisterpy = 2,2':4',4":2",2"'-quaterpyridyl-6', 6"-di-2-pyridine).
• Authors of publication: Ouellette, Wayne; Golub, Vladimir; O'Connor, Charles J; Zubieta, Jon
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 2
• Pages of publication: 291 - 309
• a: 7.2914 ± 0.0004 Å
• b: 18.1119 ± 0.001 Å
• c: 12.9448 ± 0.0007 Å
• α: 90°
• β: 98.365 ± 0.001°
• γ: 90°
• Cell volume: 1691.32 ± 0.16 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 8
• 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: 0.0332
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No