Information card for entry 4033581

Structure parameters

• Formula: C50 H62 Cd N24 O14
• Calculated formula: C50 H62 Cd N24 O14
• SMILES: [Cd]12345([O]=C6C([N]5=C(c5[n]4c(C(=[N]3C3C(=O)N(C(=O)N(C=3N)C)C)C)ccc5)C)=C(N)N(C(=O)N6C)C)[N](C3=C(N(C)C(=O)N(C3=O)C)N)=C(c3[n]2c(ccc3)C(=[N]1C1C(=O)N(C(=O)N(C=1N)C)C)C)C.O=N(=O)[O-].N#CC.O=N(=O)[O-].N#CC.C(#N)C.CC#N
• Title of publication: New 2,6-bis-[uracil-imino] ethylpyridine complexes containing the CdN(6) core: Synthesis, crystal structures, luminescent properties and antiproliferative activity against C6 glioma cells.
• Authors of publication: Illán-Cabeza, Nuria A; Jiménez-Pulido, Sonia B; Martínez-Martos, José M; Ramírez-Expósito, María J; Moreno-Carretero, Miguel N
• Journal of publication: Journal of inorganic biochemistry
• Year of publication: 2009
• Journal volume: 103
• Journal issue: 8
• Pages of publication: 1176 - 1184
• a: 13.014 ± 0.002 Å
• b: 14.0481 ± 0.0014 Å
• c: 31.297 ± 0.004 Å
• α: 90°
• β: 91.675 ± 0.012°
• γ: 90°
• Cell volume: 5719.3 ± 1.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.082
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.1448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No