Information card for entry 7001128

Structure parameters

• Formula: C10 H16 Cu N4 O3
• Calculated formula: C10 H16 Cu N4 O3
• Title of publication: Alcoholysis/hydrolysis of 1,1′-carbonyldiimidazole as a means of preparing unprecedented, imidazole-containing one-dimensional coordination polymers of copper(II)
• Authors of publication: Stamatatos, Theocharis C.; Perlepes, Spyros P.; Raptopoulou, Catherine P.; Terzis, Aris; Patrickios, Costas S.; Tasiopoulos, Anastasios J.; Boudalis, Athanassios K.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 17
• Pages of publication: 3354 - 3362
• a: 11.686 ± 0.005 Å
• b: 14.239 ± 0.005 Å
• c: 8.467 ± 0.003 Å
• α: 90°
• β: 108.269 ± 0.016°
• γ: 90°
• Cell volume: 1337.9 ± 0.9 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.1426
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No