Information card for entry 4033580

Structure parameters

• Formula: C45 H62 Cd2 Cl4 N18 O11
• Calculated formula: C45 H62 Cd2 Cl4 N18 O11
• SMILES: O=C1N(C(=O)N(C(N)=C1[N]1[Cd]2345([O]=C6N(C)C(=O)N(C(N)=C6[N]3=C(C)c3[n]4c(C(=[N]2C2C(=O)N(C(=O)N(C=2N)C)C)C)ccc3)C)[N](C2=C(N)N(C(=O)N(C2=O)C)C)=C(c2cccc(C=1C)[n]52)C)C)C.OC.OC.OC.[Cd](Cl)(Cl)([Cl-])[Cl-]
• 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: 23.247 ± 0.004 Å
• b: 10.2318 ± 0.0008 Å
• c: 26.386 ± 0.005 Å
• α: 90°
• β: 113.835 ± 0.01°
• γ: 90°
• Cell volume: 5740.9 ± 1.6 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: 0.0521
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No