Information card for entry 4327986

Structure parameters

• Formula: C18 H24 Cl4 N2 Na O5 Ru S
• Calculated formula: C18 H24 Cl4 N2 Na O5 Ru S
• SMILES: [Ru](Cl)(Cl)(Cl)(Cl)([S](=O)(C)C)[n]1ccc(cc1)Cc1ccc(N(=O)=O)cc1.[Na+].O=C(OCC)C
• 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: 8.9223 ± 0.0002 Å
• b: 9.7239 ± 0.0002 Å
• c: 14.8391 ± 0.0004 Å
• α: 99.805 ± 0.001°
• β: 90.656 ± 0.001°
• γ: 96.222 ± 0.001°
• Cell volume: 1260.57 ± 0.05 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for all reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0292
• Weighted residual factors for all reflections included in the refinement: 0.0284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0504
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No