Information card for entry 7014115

Structure parameters

• Formula: C17 H17 Cu N3 O8 P V
• Calculated formula: C17 H15 Cu N3 O8 P V
• Title of publication: Solid state coordination chemistry: structural consequences of variations in tether length in the oxovanadium-copper-bisterpy-[O3P(CH2)nPO3]4- system, n= 1-6 (bisterpy = 2,2':4',4'':2'',2'''-quarterpyridyl-6',6''-di-2-pyridine).
• Authors of publication: Ouellette, Wayne; Koo, Bon-Kweon; Burkholder, Eric; Golub, Vladimir; O'Connor, C J; Zubieta, Jon
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 10
• Pages of publication: 1527 - 1538
• a: 9.7232 ± 0.0006 Å
• b: 10.6767 ± 0.0006 Å
• c: 10.9724 ± 0.0006 Å
• α: 87.833 ± 0.001°
• β: 65.826 ± 0.001°
• γ: 81.89 ± 0.001°
• Cell volume: 1028.53 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No