Information card for entry 1544018

Structure parameters

• Formula: C13 H14 N4 O5
• Calculated formula: C13 H14 N4 O5
• SMILES: O=C(N/N=C/c1c(O)cccc1)c1n(cc(N(=O)=O)c1)C.O
• Title of publication: Transition metal complexes of asymmetrical aroyl-hydrazone ligand: Syntheses, structures, DNA binding and cleavage studies
• Authors of publication: Wang Jing-lin; Zhao Ya-qin; Yang Bin-sheng
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2014
• Pages of publication: 484 - 496
• a: 14.2124 ± 0.0014 Å
• b: 7.1502 ± 0.0008 Å
• c: 14.2714 ± 0.0015 Å
• α: 90°
• β: 103.154 ± 0.001°
• γ: 90°
• Cell volume: 1412.2 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.1334
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1169
• Weighted residual factors for all reflections included in the refinement: 0.1448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No