Information card for entry 4033578

Structure parameters

• Formula: C27 H24 Cl N6 O6 Re
• Calculated formula: C27 H24 Cl N6 O6 Re
• SMILES: [Re]1(Cl)([N](/N=C/c2cc(O)ccc2)=C(C)c2[n]1c1c(N(C(=O)N(C1=O)C)C)nc2C)(C#[O])(C#[O])C#[O].c1ccccc1
• 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: 10.7833 ± 0.0015 Å
• b: 11.837 ± 0.0014 Å
• c: 12.9604 ± 0.001 Å
• α: 97.415 ± 0.008°
• β: 90.59 ± 0.011°
• γ: 116.961 ± 0.008°
• Cell volume: 1457.7 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0677
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for significantly intense reflections: 22
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No