Information card for entry 8103324

Structure parameters

• Formula: C52 H64 N18 O8 Zn
• Calculated formula: C52 H64 N18 O8 Zn
• Title of publication: Crystal structure of catena-bis(m-dicyanamido)-bis[2-(4-pyridyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide-kN)- zinc(II) — 2-(4-pyridyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide (1:2), Zn(C12H16N3O2)2(C2N3)2 · 2C52H64N18O8
• Authors of publication: Fu-Yu Wang; Shu-Fang Lou; Shi-Kun Hai
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2012
• Journal volume: 227
• Journal issue: 2
• Pages of publication: 107
• a: 17.8251 ± 0.0017 Å
• b: 7.3268 ± 0.0007 Å
• c: 21.182 ± 0.002 Å
• α: 90°
• β: 92.902 ± 0.001°
• γ: 90°
• Cell volume: 2762.8 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 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: 0.0584
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No