Information card for entry 4327983

Structure parameters

• Formula: C26 H27 Cl4 N4 O5 Ru S
• Calculated formula: C26 H27 Cl4 N4 O5 Ru S
• SMILES: [Ru](Cl)(Cl)(Cl)(Cl)([S](=O)(C)C)[n]1ccc(cc1)Cc1ccc(N(=O)=O)cc1.O=N(=O)c1ccc(Cc2cc[nH+]cc2)cc1
• Title of publication: Pyridine Analogues of the Antimetastatic Ru(III) Complex NAMI-A Targeting Non-Covalent Interactions with Albumin
• Authors of publication: Michael I. Webb; Ryan A. Chard; Yaser M. Al-Jobory; Michael R. Jones; Edwin W. Y. Wong; Charles J. Walsby
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 954 - 966
• a: 27.495 ± 0.003 Å
• b: 7.9456 ± 0.0008 Å
• c: 14.5149 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3171 ± 0.6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1613
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections: 0.0777
• Weighted residual factors for significantly intense reflections: 0.0476
• Weighted residual factors for all reflections included in the refinement: 0.0442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.3132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No