Information card for entry 4349593

Structure parameters

• Formula: C14 H12 N6 O4 Pb S
• Calculated formula: C14 H12 N6 O4 Pb S
• SMILES: [Pb]12([O]=C(c3cnccc3)N[N]1=C(C)c1[n]2cccc1)(N=C=S)ON(=O)=O
• Title of publication: Anion-driven tetrel bond-induced engineering of lead(ii) architectures with N′-(1-(2-pyridyl)ethylidene)nicotinohydrazide: experimental and theoretical findings
• Authors of publication: Mahmoudi, Ghodrat; Safin, Damir A.; Mitoraj, Mariusz P.; Amini, Mojtaba; Kubicki, Maciej; Doert, Thomas; Locherer, Franziska; Fleck, Michel
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 1
• Pages of publication: 171
• a: 9.6025 ± 0.0001 Å
• b: 14.5202 ± 0.0002 Å
• c: 12.4996 ± 0.0002 Å
• α: 90°
• β: 100.766 ± 0.0007°
• γ: 90°
• Cell volume: 1712.15 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0514
• Weighted residual factors for all reflections included in the refinement: 0.0535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No