Information card for entry 7007932

Structure parameters

• Formula: C51 H44.9 Cu3 F3 N9 O20.9 P4 V4
• Calculated formula: C51 H44 Cu3 F3 N9 O20.9 P4 V4
• 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: 11.0177 ± 0.0007 Å
• b: 15.1098 ± 0.001 Å
• c: 17.7349 ± 0.0012 Å
• α: 88.343 ± 0.001°
• β: 78.885 ± 0.001°
• γ: 79.514 ± 0.001°
• Cell volume: 2848.6 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1324
• Weighted residual factors for all reflections included in the refinement: 0.1434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No