Information card for entry 4033576

Structure parameters

• Formula: C11 H14 N6 O2
• Calculated formula: C11 H14 N6 O2
• SMILES: O=C1N(c2nc(c(nc2C(=O)N1C)C(=N\N)\C)C)C
• Title of publication: Chloro-fac-tricarbonylrhenium(I) complexes of asymmetric azines derived from 6-acetyl-1,3,7-trimethylpteridine-2,4(1H,3H)-dione with hydrazine and aromatic aldehydes: preparation, structural characterization and biological activity against several human tumor cell lines.
• Authors of publication: Picón-Ferrer, Inmaculada; Hueso-Ureña, Francisco; 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: 1
• Pages of publication: 94 - 100
• a: 11.253 ± 0.002 Å
• b: 9.5746 ± 0.0014 Å
• c: 11.4498 ± 0.0018 Å
• α: 90°
• β: 96.325 ± 0.014°
• γ: 90°
• Cell volume: 1226.1 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No