Information card for entry 4033560

Structure parameters

• Formula: C12 H13 Cd I2 N5 O2
• Calculated formula: C12 H13 Cd I2 N5 O2
• SMILES: [O]1=C2C(=C(N(C(=O)N2C)C)N)[N]2[Cd]1(I)(I)[n]1c(C=2)cccc1
• 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: 14.3802 ± 0.0002 Å
• b: 8.044 ± 0.0006 Å
• c: 15.8104 ± 0.0008 Å
• α: 90°
• β: 106.955 ± 0.003°
• γ: 90°
• Cell volume: 1749.36 ± 0.16 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0516
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.269
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No