Information card for entry 7226170

Structure parameters

• Formula: C30 H24 N12 O2 Pb2 S4
• Calculated formula: C30 H24 N12 O2 Pb2 S4
• SMILES: [Pb]12(SC#N)([O]=C(N[N]1=C(C)c1[n]2cccc1)c1c[n]([Pb]23(SC#N)([O]=C(N[N]2=C(C)c2[n]3cccc2)c2cccnc2)N=C=S)ccc1)N=C=S
• 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: 7.5527 ± 0.0002 Å
• b: 14.5337 ± 0.0005 Å
• c: 16.8369 ± 0.0004 Å
• α: 102.817 ± 0.002°
• β: 94.897 ± 0.002°
• γ: 98.141 ± 0.002°
• Cell volume: 1770.85 ± 0.09 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0425
• Weighted residual factors for all reflections included in the refinement: 0.0454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No