Information card for entry 4033571

Structure parameters

• Formula: C7 H8 Cl N5 O3 Pd
• Calculated formula: C7 H8 Cl N5 O3 Pd
• SMILES: O=[N]1[Pd](Nc2nc([nH]c(=O)c12)OC)(Cl)[N]#CC
• Title of publication: Antiproliferative effects of palladium(II) complexes of 5-nitrosopyrimidines and interactions with the proteolytic regulatory enzymes of the renin-angiotensin system in tumoral brain cells.
• Authors of publication: Illán-Cabeza, Nuria A; García-García, Antonio R; Martínez-Martos, José M; Ramírez-Expósito, María J; Moreno-Carretero, Miguel N
• Journal of publication: Journal of inorganic biochemistry
• Year of publication: 2013
• Journal volume: 126
• Pages of publication: 118 - 127
• a: 7.7776 ± 0.0005 Å
• b: 19.1139 ± 0.0007 Å
• c: 8.4291 ± 0.0007 Å
• α: 90°
• β: 116.26 ± 0.007°
• γ: 90°
• Cell volume: 1123.75 ± 0.14 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: 0.0449
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.215
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No