Information card for entry 7014117

Structure parameters

• Formula: C42 H48 Cu2 N6 O18 P4 V2
• Calculated formula: C42 H46 Cu2 N6 O18 P4 V2
• 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: 9.0548 ± 0.0005 Å
• b: 15.4425 ± 0.0008 Å
• c: 17.3746 ± 0.0009 Å
• α: 96.116 ± 0.0001°
• β: 98.686 ± 0.0001°
• γ: 95.396 ± 0.0001°
• Cell volume: 2372.9 ± 0.2 ų
• Cell temperature: 95 ± 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: 0.0727
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No