Information card for entry 4321027

Structure parameters

• Formula: C13 H12 Cu N6 O3
• Calculated formula: C13 H9 Cu N6 O3
• Title of publication: Ferromagnetism in an Extended Three-Dimensional, Diamond-like Copper(II) Network: A New Copper(II)/1-Hydroxybenzotriazolato Complex Exhibiting Soft-Magnet Properties and Two Transitions at 6.4 and 4.4 K
• Authors of publication: Vassilis Tangoulis; Catherine P. Raptopoulou; Vassilis Psycharis; Aris Terzis; Konstantina Skorda; Spyros P. Perlepes; Olivier Cador; Olivier Kahn; Evangelos G. Bakalbassis
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 2522 - 2529
• a: 9.915 ± 0.001 Å
• b: 9.915 ± 0.001 Å
• c: 14.715 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1446.6 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0288
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for all reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.0634
• Goodness-of-fit parameter for all reflections: 0.895
• Goodness-of-fit parameter for significantly intense reflections: 0.848
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No