Information card for entry 4321126

Structure parameters

• Formula: C41.96 H43.48 Cl4 N8 O9.01 V2
• Calculated formula: C58 H28 Cl6 N8 O20 V2
• Title of publication: Model Investigations of Vanadium-Protein Interactions: Novel Vanadium(III) and Oxovanadium(IV) Compounds with the Diamidate Ligand 1,2-Bis(2-pyridinecarboxamide)benzene (H2bpb)
• Authors of publication: Antonis T. Vlahos; Evagelos I. Tolis; Catherine P. Raptopoulou; Alexandros Tsohos; Michael P. Sigalas; Aris Terzis; Themistoklis A. Kabanos
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 2977 - 2985
• a: 9.14 ± 0.002 Å
• b: 11.058 ± 0.002 Å
• c: 14.175 ± 0.002 Å
• α: 99.013 ± 0.005°
• β: 104.728 ± 0.007°
• γ: 102.992 ± 0.007°
• Cell volume: 1314.9 ± 0.4 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1068
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections: 0.1976
• Weighted residual factors for significantly intense reflections: 0.1627
• Goodness-of-fit parameter for all reflections: 1.066
• Goodness-of-fit parameter for significantly intense reflections: 1.08
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No