Information card for entry 4033574

Structure parameters

• Formula: C48 H42 N6 O8 P2 Rh
• Calculated formula: C48 H42 N6 O8 P2 Rh
• SMILES: [P]([Rh]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)([N](C3=C(N(C(=O)N(C)C3=O)C)O1)=O)[N](C1=C(N(C(=O)N(C)C1=O)C)O2)=O)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Structural and theoretical studies on rhodium and iridium complexes with 5-nitrosopyrimidines. Effects on the proteolytic regulatory enzymes of the renin-angiotensin system in human tumoral brain cells.
• Authors of publication: Illán-Cabeza, Nuria A; Jiménez-Pulido, Sonia B; Ramírez-Expósito, María J; García-García, Antonio R; Peña-Ruiz, Tomás; Martínez-Martos, José M; Moreno-Carretero, Miguel N
• Journal of publication: Journal of inorganic biochemistry
• Year of publication: 2015
• Journal volume: 143
• Pages of publication: 20 - 33
• a: 10.363 ± 0.0016 Å
• b: 17.753 ± 0.0016 Å
• c: 11.701 ± 0.0014 Å
• α: 90°
• β: 94.809 ± 0.012°
• γ: 90°
• Cell volume: 2145.1 ± 0.5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0735
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No