Information card for entry 7226168

Structure parameters

• Formula: C13 H12 Cl2 N4 O Pb
• Calculated formula: C13 H12 Cl2 N4 O Pb
• SMILES: [Pb]12(Cl)(Cl)[O]=C(N[N]2=C(c2[n]1cccc2)C)c1cccnc1
• Title of publication: Metal‒organic and supramolecular lead(ii) networks assembled from isomeric nicotinoylhydrazone blocks: the effects of ligand geometry and counter-ion on topology and supramolecular assembly
• Authors of publication: Mahmoudi, Ghodrat; Bauzá, Antonio; Frontera, Antonio; Garczarek, Piotr; Stilinović, Vladimir; Kirillov, Alexander M.; Kennedy, Alan; Ruiz-Pérez, Catalina
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 28
• Pages of publication: 5375
• a: 10.4863 ± 0.0014 Å
• b: 14.79 ± 0.002 Å
• c: 10.8544 ± 0.0015 Å
• α: 90°
• β: 116.161 ± 0.002°
• γ: 90°
• Cell volume: 1511 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0223
• Residual factor for significantly intense reflections: 0.0183
• Weighted residual factors for significantly intense reflections: 0.0403
• Weighted residual factors for all reflections included in the refinement: 0.0418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No