Information card for entry 7226270

Structure parameters

• Formula: C16 Cr N10 Ni
• Calculated formula: C16 Cr N10 Ni
• Title of publication: Exploration of a new building block for the construction of cyano-bridged solvatomagnetic assemblies: [Ni(cyclam)]3+
• Authors of publication: Nowicka, Beata; Heczko, Michał; Reczyński, Mateusz; Rams, Michał; Gaweł, Bartłomiej; Nitek, Wojciech; Sieklucka, Barbara
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 37
• Pages of publication: 7011
• a: 9.8002 ± 0.0014 Å
• b: 11.9983 ± 0.0017 Å
• c: 10.126 ± 0.0011 Å
• α: 90°
• β: 102.646 ± 0.019°
• γ: 90°
• Cell volume: 1161.8 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.2233
• Residual factor for significantly intense reflections: 0.1852
• Weighted residual factors for all reflections: 0.1895
• Weighted residual factors for significantly intense reflections: 0.1839
• Goodness-of-fit parameter for all reflections: 3.37
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKaradiation
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No