Information card for entry 4322828

Structure parameters

• Formula: C11 H11 Cu N6
• Calculated formula: C11 H11 Cu N6
• Title of publication: A New Mononuclear Copper(II) Complex Containing Two Imidazolyl Moieties as Precursor of Self-Assembled and NiIICuIINiII Heterobimetallic Complexes
• Authors of publication: José M. Domínguez-Vera; Fernando Cámara; José M. Moreno; Enrique Colacio; Helen Stoeckli-Evans
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 3046 - 3050
• a: 18.132 ± 0.012 Å
• b: 14.927 ± 0.006 Å
• c: 8.629 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2335 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1586
• Residual factor for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections: 0.1433
• Weighted residual factors for significantly intense reflections: 0.1244
• Goodness-of-fit parameter for all reflections: 1.169
• Goodness-of-fit parameter for significantly intense reflections: 1.345
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No