Information card for entry 4349598

Structure parameters

• Formula: C13 H13 Cl N4 O5
• Calculated formula: C13 H13 Cl N4 O5
• SMILES: n1cc(ccc1)C(=O)N/N=C(C)/c1[nH+]cccc1.Cl(=O)(=O)(=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: 8.151 ± 0.003 Å
• b: 8.049 ± 0.003 Å
• c: 21.772 ± 0.009 Å
• α: 90°
• β: 94.501 ± 0.006°
• γ: 90°
• Cell volume: 1424 ± 1 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• 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: 0.1672
• Residual factor for significantly intense reflections: 0.0825
• Weighted residual factors for significantly intense reflections: 0.1769
• Weighted residual factors for all reflections included in the refinement: 0.2144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No