Information card for entry 2241427

Structure parameters

• Chemical name: <i>catena</i>-Poly[bis(piperazine-1,4-diium) [[tetraiodidoplumbate(II)]-μ-iodido] iodide monohydrate]
• Formula: C8 H26 I6 N4 O Pb
• Calculated formula: C8 H26 I6 N4 O Pb
• SMILES: C1C[NH2+]CC[NH2+]1.I[Pb](I)(I)([I-])I.[I-].O.C1C[NH2+]CC[NH2+]1
• Title of publication: Crystal structure of a new hybrid compound based on an iodidoplumbate(II) anionic motif
• Authors of publication: Mokhnache, Oualid; Boughzala, Habib
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 1
• Pages of publication: 56 - 59
• a: 8.7477 ± 0.001 Å
• b: 13.488 ± 0.002 Å
• c: 20.336 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2399.4 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes