Information card for entry 7059566

Structure parameters

• Formula: C28 H21 N7 Ni O2
• Calculated formula: C28 H21 N7 Ni O2
• SMILES: c1cccc(C2=N[N]3=C(c4ccccc4)C(=NN4[Ni]3([n]3c(C4=O)cccc3)O2)c2ccccc2)n1.CC#N
• Title of publication: Antitumor effects of novel nickel‒hydrazone complexes in lung cancer cells
• Authors of publication: Ay, Burak; Şahin, Onur; Saygıdeğer Demir, Burcu; Saygideger, Yasemin; López-de-Luzuriaga, José M.; Mahmoudi, Ghodrat; Safin, Damir A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 21
• Pages of publication: 9064 - 9072
• a: 16.1535 ± 0.0017 Å
• b: 12.4948 ± 0.0011 Å
• c: 12.4545 ± 0.0011 Å
• α: 90°
• β: 98.085 ± 0.004°
• γ: 90°
• Cell volume: 2488.8 ± 0.4 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.1147
• Residual factor for significantly intense reflections: 0.0958
• Weighted residual factors for significantly intense reflections: 0.2056
• Weighted residual factors for all reflections included in the refinement: 0.2131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No