Information card for entry 4033569

Structure parameters

• Formula: c11 cl h8 n5 o6 re
• Calculated formula: C11 H8 Cl N5 O6 Re
• SMILES: [Re]1(Cl)([O]=C2C(=C(N(C)C(=O)N2C)N)[N]1=O)(C#[O])(C#[O])C#[O].CC#N
• Title of publication: Synthesis, characterization and antiproliferative behavior of tricarbonyl complexes of rhenium(I) with some 6-amino-5-nitrosouracil derivatives: Crystal structure of fac-[ReCl(CO)3(DANU-N5,O4)] (DANU=6-amino-1,3-dimethyl-5-nitrosouracil)
• Authors of publication: Illán-Cabeza, Nuria A.; García-García, Antonio R.; Moreno-Carretero, Miguel N.; Martínez-Martos, José M.; Ramírez-Expósito, María J.
• Journal of publication: Journal of Inorganic Biochemistry
• Year of publication: 2005
• Journal volume: 99
• Journal issue: 8
• Pages of publication: 1637
• a: 6.8055 ± 0.0005 Å
• b: 10.4899 ± 0.0007 Å
• c: 11.1946 ± 0.0008 Å
• α: 80.269 ± 0.006°
• β: 87.949 ± 0.006°
• γ: 88.337 ± 0.006°
• Cell volume: 786.95 ± 0.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0744
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.0683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No