Information card for entry 4033579

Structure parameters

• Formula: C14 H13 Cl N6 O5 Re
• Calculated formula: C14 H14 Cl N6 O5 Re
• SMILES: [Re]1(Cl)([n]2c3C(=O)N(C)C(=O)N(c3nc(c2C(=[N]1N)C)C)C)(C#[O])(C#[O])C#[O]
• 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: 9.338 ± 0.001 Å
• b: 9.5432 ± 0.0006 Å
• c: 11.2856 ± 0.001 Å
• α: 100.456 ± 0.007°
• β: 112.512 ± 0.009°
• γ: 94.46 ± 0.006°
• Cell volume: 901.56 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No