Information card for entry 7101438

Structure parameters

• Formula: C28 H48.5 B Cr N9.5 O0.5
• Calculated formula: C28 H48.5 B Cr N9.5 O0.5
• Title of publication: Syntheses, Structures, and Magnetic Characterization of Dicyanometalate(II) Building Blocks: [NEt4][(Tp*)MII(CN)2] [MII = Cr, Co, Ni; Tp* = hydridotris(3,5-diemethylpyrazolyl)borate]
• Authors of publication: Stephen Holmes; Rodolphe Clerac; Dongfeng Li.; Sean Parkin; Chad Ruschman
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 38
• a: 10.1192 ± 0.0003 Å
• b: 13.9716 ± 0.0004 Å
• c: 24.4089 ± 0.0007 Å
• α: 90°
• β: 91.565 ± 0.002°
• γ: 90°
• Cell volume: 3449.68 ± 0.17 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0927
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.2104
• Weighted residual factors for all reflections included in the refinement: 0.2234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No