Information card for entry 4110820

Structure parameters

• Formula: C30 H36 B2 F8 N6 Ni
• Calculated formula: C30 H36 B2 F8 N6 Ni
• Title of publication: Observation of Intramolecular Paramagnetic T1 Spin Decoupling in the 13C NMR Spectra of Triazacyclohexane Complexes of Ni(II)
• Authors of publication: Randolf Dag Köhn; Matthias Haufe; Gabriele Kociok-Köhn
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 10682 - 10683
• a: 10.95 ± 0.0002 Å
• b: 10.992 ± 0.0002 Å
• c: 16.393 ± 0.0004 Å
• α: 71.5 ± 0.001°
• β: 71.165 ± 0.001°
• γ: 71.625 ± 0.001°
• Cell volume: 1720.45 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No