Information card for entry 7007931

Structure parameters

• Formula: C18 H19 Cu F N3 O8 P2 V
• Calculated formula: C18 H16 Cu F N3 O8 P2 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: 20.8359 ± 0.0009 Å
• b: 13.3393 ± 0.0006 Å
• c: 15.8184 ± 0.0007 Å
• α: 90°
• β: 112.368 ± 0.001°
• γ: 90°
• Cell volume: 4065.7 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No