Information card for entry 7110794

Structure parameters

• Chemical name: nickel bis(dicyanamide) 2-amino-pyrimidine
• Formula: C8 H5 N9 Ni
• Calculated formula: C8 H5 N9 Ni
• Title of publication: Infinite molecular tubes: structure and magnetism of M(dca)2(apym) [M = Co, Ni, apym = 2-aminopyrimidine, dca = dicyanamide, N(CN)2−]
• Authors of publication: Jensen, Paul; Batten, Stuart R.; Moubaraki, Boujemaa; Murray, Keith S.
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 9
• Pages of publication: 793
• a: 17.0863 ± 0.0006 Å
• b: 17.0863 ± 0.0006 Å
• c: 7.3099 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2134.06 ± 0.12 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 135
• Hermann-Mauguin space group symbol: P 42/m b c
• Hall space group symbol: -P 4c 2ab
• Residual factor for all reflections: 0.1013
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No