Information card for entry 4327980

Structure parameters

• Formula: C56 H74 Cl8 N2 Na2 O10 Ru2 S2
• Calculated formula: C56 H74 Cl8 N2 Na2 O10 Ru2 S2
• SMILES: [Ru]12([Cl][Na]3([Cl]1)([O](=[S]2(C)C)[Na]12([O]=C(OCC)C)([Cl][Ru]([Cl]1)(Cl)(Cl)([S](=[O]32)(C)C)[n]1ccc(cc1)C(c1ccccc1)c1ccccc1)[O]=C(OCC)C)([O]=C(OCC)C)[O]=C(OCC)C)(Cl)(Cl)[n]1ccc(cc1)C(c1ccccc1)c1ccccc1
• 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: 11.4679 ± 0.0001 Å
• b: 12.6326 ± 0.0001 Å
• c: 14.7315 ± 0.0001 Å
• α: 93.075 ± 0.001°
• β: 109.88°
• γ: 116.24°
• Cell volume: 1746.71 ± 0.03 ų
• Cell temperature: 293 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: 0.0857
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections: 0.1132
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0196
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No