Information card for entry 8102778

Structure parameters

• Chemical name: manganese(II) complex bearing nitronyl nitroxide radicals'
• Formula: C30 H38 Cl2 Mn N8 O4
• Calculated formula: C30 H38 Cl2 Mn N8 O4
• SMILES: [Mn]12(Cl)(Cl)([O]=[N]3C(=N(=O)C(C3(C)C)(C)C)c3[n]1c1ccccc1n3C)[O]=[N]1C(=N(=O)C(C1(C)C)(C)C)c1n(c3ccccc3[n]21)C
• Title of publication: Crystal structure of bis(2-{2'-[(l'-methyl)benzimidazolyl]}-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide)manganese(II) dichloride, Mn(C15H19N4O2)2Cl2
• Authors of publication: Tian-You Yang; Zhou-Qin Wang; Xian-Fang Zhao; Jing Tian
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 3
• Pages of publication: 521
• a: 11.8905 ± 0.0019 Å
• b: 10.7932 ± 0.0017 Å
• c: 13.463 ± 0.002 Å
• α: 90°
• β: 106.063 ± 0.002°
• γ: 90°
• Cell volume: 1660.3 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0808
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No