Information card for entry 4033562

Structure parameters

• Formula: C24 H24 N10 Ni O5
• Calculated formula: C24 H24 N10 Ni O5
• SMILES: [Ni]1234([N](C5C(=O)N(C)C(=O)N(C)C=5N3)=Cc3[n]1cccc3)[n]1ccccc1C=[N]2C1=C(N(C)C(=O)N(C)C1=O)N4.O
• Title of publication: Effects on estrogen-dependent and triple negative breast cancer cells growth of Ni(II), Zn(II) and Cd(II) complexes with the Schiff base derived from pyridine-2-carboxaldehyde and 5,6-diamino-1,3-dimethyluracil explored through the renin-angiotensin system (RAS)-regulating aminopeptidases.
• Authors of publication: Illán-Cabeza, Nuria A; Jiménez-Pulido, Sonia B; Hueso-Ureña, Francisco; Ramírez-Expósito, María J; Sánchez-Sánchez, Purificación; Martínez-Martos, José M; Moreno-Carretero, Miguel N
• Journal of publication: Journal of inorganic biochemistry
• Year of publication: 2018
• Journal volume: 185
• Pages of publication: 52 - 62
• a: 9.7652 ± 0.001 Å
• b: 12.6071 ± 0.0015 Å
• c: 12.6665 ± 0.0016 Å
• α: 116.489 ± 0.008°
• β: 110.082 ± 0.012°
• γ: 94.251 ± 0.01°
• Cell volume: 1262 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0958
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1485
• Weighted residual factors for all reflections included in the refinement: 0.1756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No