Information card for entry 8102506

Structure parameters

• Formula: C28 H34 N12 O5 Pb
• Calculated formula: C28 H34 N12 O5 Pb
• SMILES: [Pb]([OH2])([n]1ccc(cc1)C1=N(=O)C(C([N]1=O)(C)C)(C)C)([n]1ccc(cc1)C1=N(=O)C(C([N]1=O)(C)C)(C)C)(N=C=NC#N)N=C=NC#N
• Title of publication: Crystal structure of monoaqua-[2-(4-pyridyl)-4,4,5,5,-tetramethylimidazoline-1-oxyl-3-oxide]dicyanamidolead(II), Pb(H2O)(C12H16N3O2)2(C2N3)2
• Authors of publication: Yu-Fang Wang; Yong-Hua Zhang; Li-Ya Wang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 4
• Pages of publication: 579
• a: 7.1782 ± 0.0005 Å
• b: 13.6925 ± 0.001 Å
• c: 17.5957 ± 0.0013 Å
• α: 108.367 ± 0.001°
• β: 93.901 ± 0.001°
• γ: 101.398 ± 0.001°
• Cell volume: 1593.1 ± 0.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0178
• Residual factor for significantly intense reflections: 0.0165
• Weighted residual factors for significantly intense reflections: 0.0411
• Weighted residual factors for all reflections included in the refinement: 0.0416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No